BDBM50125354 2'-Cyanomethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahydro-4H-cycloheptaimidazol-1-ylmethyl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide::CHEMBL12144

SMILES: CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CC#N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C

InChI Key: InChIKey=PPKYHFHFSZRMQF-UHFFFAOYSA-N

Data: 2 KI

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 = 50125354   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50125354 (2'-Cyanomethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahyd...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CC#N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H33N5O4S/c1-4-9-29-33-26-11-6-7-12-27(37)30(26)36(29)19-22-14-15-24(23(18-22)16-17-32)25-10-5-8-13-28(25)41(38,39)35-31-20(2)21(3)34-40-31/h5,8,10,13-15,18,35H,4,6-7,9,11-12,16,19H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards human ETA receptor expressed in CHO-K1 cells in the presence of 0.05 nM [125I]-labeled endothelin 1				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1 (RAT)	BDBM50125354 (2'-Cyanomethyl-4'-(8-oxo-2-propyl-5,6,7,8-tetrahyd...) Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(c(CC#N)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C31H33N5O4S/c1-4-9-29-33-26-11-6-7-12-27(37)30(26)36(29)19-22-14-15-24(23(18-22)16-17-32)25-10-5-8-13-28(25)41(38,39)35-31-20(2)21(3)34-40-31/h5,8,10,13-15,18,35H,4,6-7,9,11-12,16,19H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity towards Angiotensin II receptor, type 1 in rat aortic smooth muscle cells using 0.2 nM [125I]-labeled Sar-Ile-angiotensin II				Bioorg Med Chem Lett 13: 1093-6 (2003) BindingDB Entry DOI: 10.7270/Q2NG4PZP
					More data for this Ligand-Target Pair