BDBM50043472 CHEMBL335514::[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenylamino]-phenyl-acetic acid

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(O)=O)c2ccccc2)cc1

InChI Key: InChIKey=NNTXEHYJDBNNKO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50043472   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Type-2 angiotensin II receptor (RAT)	BDBM50043472 (CHEMBL335514 | [4-(2-Ethyl-5,7-dimethyl-imidazo[4,...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H26N4O2/c1-4-21-28-22-16(2)14-17(3)26-24(22)29(21)15-18-10-12-20(13-11-18)27-23(25(30)31)19-8-6-5-7-9-19/h5-14,23,27H,4,15H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro antagonist activity against angiotensin II type 2 (AT2) receptor in rat midbrain using [125I]- Sar, Ile AII.				J Med Chem 36: 4239-49 (1994) BindingDB Entry DOI: 10.7270/Q22V2F6P
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (RABBIT)	BDBM50043472 (CHEMBL335514 | [4-(2-Ethyl-5,7-dimethyl-imidazo[4,...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NC(C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H26N4O2/c1-4-21-28-22-16(2)14-17(3)26-24(22)29(21)15-18-10-12-20(13-11-18)27-23(25(30)31)19-8-6-5-7-9-19/h5-14,23,27H,4,15H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro antagonist activity against angiotensin II receptor type 1 in rabbit aorta using [125I]-Sar, Ile AII.				J Med Chem 36: 4239-49 (1994) BindingDB Entry DOI: 10.7270/Q22V2F6P
					More data for this Ligand-Target Pair