Showing entry for 2-ethylbenzimidazole


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0028565
Compound Name2-ethylbenzimidazole
Structure
FormulaC9H10N2
InchiKeyQHCCOYAKYCWDOJ-UHFFFAOYSA-N
SMILESCCc1nc2c([nH]1)cccc2
InchiInChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
IUPAC2-ethyl-1H-benzimidazole
Molecular Weight146.08
Pubchem Id15807
Chembl IdCHEMBL351569
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 50404858
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 BXGT005484 Cytochrome P450 1A1 reviewed Cyp1a1 - 630000 - -
reviewed BXGT005484 Cytochrome P450 1A1 reviewed Cyp1a1 - 630957.34 - -
reviewed BXGT005479 Cytochrome P450 2B1 reviewed Cyp2b1 - 676082.98 - -
reviewed BXGT005328 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 reviewed Enzyme DDAH1 - 1400000 - -
reviewed BXGT005328 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 reviewed Enzyme DDAH1 800000 - - -
reviewed BXGT005479 Cytochrome P450 2B1 reviewed Cyp2b1 - 670000 - -
CHEMBL CHEMBL351569
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
P00176 BXGT005479 Cytochrome P450 2B1 reviewed - Cyp2b1 IC50 '=' 670000 nM
O94760 BXGT005328 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 reviewed Enzyme DDAH1 Ki '=' 800000 nM
P00176 BXGT005479 Cytochrome P450 2B1 reviewed - Cyp2b1 IC50 '=' 676082 nM
P00185 BXGT005484 Cytochrome P450 1A1 reviewed - Cyp1a1 IC50 '=' 630000 nM
O94760 BXGT005328 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 reviewed Enzyme DDAH1 Inhibition '=' 36 %
P00185 BXGT005484 Cytochrome P450 1A1 reviewed - Cyp1a1 IC50 '=' 630957 nM
O94760 BXGT005328 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 reviewed Enzyme DDAH1 Inhibition '=' 4 %
O94760 BXGT005328 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 reviewed Enzyme DDAH1 Inhibition - - -
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 100000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 7307 nM
O94760 BXGT005328 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 reviewed Enzyme DDAH1 Inhibition '=' 25 %
O94760 BXGT005328 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 reviewed Enzyme DDAH1 IC50 '=' 1400000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02612 Mosla chinensis Mosla chinensis Medicinal Plant
BXGF03243 Elsholtzia ciliata Elsholtzia ciliata 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