BDBM50043452 CHEMBL337663::{Allyl-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-amino}-(2,5-difluoro-phenyl)-acetic acid

SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)N(CC=C)C(C(O)=O)c1cc(F)ccc1F

InChI Key: InChIKey=HTEDINUDVZQVRJ-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 = 50043452   

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)	BDBM50043452 (CHEMBL337663 | {Allyl-[4-(2-ethyl-5,7-dimethyl-imi...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)N(CC=C)C(C(O)=O)c1cc(F)ccc1F Show InChI InChI=1S/C28H28F2N4O2/c1-5-13-33(26(28(35)36)22-15-20(29)9-12-23(22)30)21-10-7-19(8-11-21)16-34-24(6-2)32-25-17(3)14-18(4)31-27(25)34/h5,7-12,14-15,26H,1,6,13,16H2,2-4H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80E+3	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)	BDBM50043452 (CHEMBL337663 | {Allyl-[4-(2-ethyl-5,7-dimethyl-imi...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)N(CC=C)C(C(O)=O)c1cc(F)ccc1F Show InChI InChI=1S/C28H28F2N4O2/c1-5-13-33(26(28(35)36)22-15-20(29)9-12-23(22)30)21-10-7-19(8-11-21)16-34-24(6-2)32-25-17(3)14-18(4)31-27(25)34/h5,7-12,14-15,26H,1,6,13,16H2,2-4H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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