acompound

Showing entry for Berbamine

General Compound Information
BXGC Id	BXGC0046737
Compound Name	Berbamine
Structure
Formula	C37H40N2O6
InchiKey	DFOCUWZXJBAUSQ-URLMMPGGSA-N
SMILES	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C
Inchi	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
IUPAC
Molecular Weight	608.29
Pubchem Id	275182
Chembl Id	CHEMBL504323

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

50241654

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT011072	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A	reviewed		PDE1A	-	22	-	-

CHEMBL

CHEMBL504323

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	19952	nM
P54750	BXGT011072	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A	reviewed	-	PDE1A	IC50	'='	22000	nM
O14746	BXGT004091	Telomerase reverse transcriptase	reviewed	Enzyme	TERT	Activity	'='	5	%
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	3162	nM
P10980	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed	-	Chrm2	Ki	'='	190	nM
P08911	BXGT006839	Muscarinic acetylcholine receptor M5	reviewed	-	Chrm5	Ki	'='	190	nM
P08485	BXGT006777	Muscarinic acetylcholine receptor M4	reviewed	-	Chrm4	Ki	'='	190	nM
P08483	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed	-	Chrm3	Ki	'='	190	nM
P08482	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed	-	Chrm1	Ki	'='	190	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	9441	nM
O15296	BXGT004148	Arachidonate 15-lipoxygenase B	reviewed	Enzyme	ALOX15B	Potency	-	15848	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	31622	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00951	Chrysanthemum myconis	Chrysanthemum myconis	Others
BXGF00970	Acnistus arborescens	Acnistus arborescens	Human Edible Plant
BXGF01203	Berberis fortunei	Berberis fortunei	Medicinal Plant
BXGF01660	Thalictrum foliolosum	Thalictrum foliolosum	Medicinal Plant
BXGF01838	Dunaliella salina	Dunaliella salina	Human Edible Plant
BXGF01997	Garcinia paucinervis	Garcinia paucinervis	Human Edible Plant
BXGF02661	Sphaerophysa salsula	Sphaerophysa salsula	Others
BXGF02765	Berberis thunbergii	Berberis thunbergii	Medicinal Plant
BXGF02930	Euphorbia characias subsp. wulfenii	Euphorbia characias subsp. wulfenii	Medicinal Plant
BXGF02968	Doronicum grandiflorum	Doronicum grandiflorum	Others
BXGF03130	Panax quinquefolius	Panax quinquefolius	Medicinal Plant
BXGF03173	Oxytropis lanata	Oxytropis lanata	Others
BXGF03259	Populus balsamifera	Populus balsamifera	Medicinal Plant
BXGF03280	Pilosocereus chrysacanthus	Pilosocereus chrysacanthus	Human Edible Plant
BXGF03331	Strychnos gossweileri	Strychnos gossweileri	Others
BXGF03381	Hylomecon japonica	Hylomecon japonica	Medicinal Plant
BXGF03417	Leibnitzia anandria	Leibnitzia anandria	Medicinal Plant
BXGF03475	Lithocarpus haipinii	Lithocarpus haipinii	Others
BXGF03538	Notholaena schaffneri	Notholaena schaffneri	Others
BXGF04038	Plectranthus ernstii	Plectranthus ernstii	Others
BXGF04508	Eupatorium glandulosum	Eupatorium glandulosum	Medicinal Plant
BXGF04568	Sideritis ferrensis	Sideritis ferrensis	Others
BXGF04599	Radula voluta	Radula voluta	Others
BXGF04707	Euphorbia broteri	Euphorbia broteri	Others
BXGF04714	Zamia spiralis	Zamia spiralis	Others
BXGF04941	Thalictrum thunbergii	Thalictrum thunbergii	Medicinal Plant
BXGF05001	Stephania cepharantha	Stephania cepharantha	Medicinal Plant
BXGF05163	Cyclea barbata	Cyclea barbata	Medicinal Plant
BXGF05694	Piper retrofractum	Piper retrofractum	Medicinal Plant
BXGF05762	Ardisia hortorum	Ardisia hortorum	Medicinal Plant
BXGF05957	Artocarpus incisa	Artocarpus incisa	Medicinal Plant
BXGF05982	Ligularia nelumbifolia	Ligularia nelumbifolia	Medicinal Plant
BXGF06057	Berberis oblonga	Berberis oblonga	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}