BDBM50182456 CHEMBL202089::methyl 4'-{[({1-[(3,3,3-trifluoropropanoyl)amino]cyclopropyl}carbonyl)amino]methyl}-1,1'-biphenyl-2-carboxylate

SMILES: COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)CC(F)(F)F)cc1

InChI Key: InChIKey=SBYDVCNHRKXOCI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50182456   

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
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50182456 (CHEMBL202089 | methyl 4'-{[({1-[(3,3,3-trifluoropr...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C22H21F3N2O4/c1-31-19(29)17-5-3-2-4-16(17)15-8-6-14(7-9-15)13-26-20(30)21(10-11-21)27-18(28)12-22(23,24)25/h2-9H,10-13H2,1H3,(H,26,30)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to human bradykinin B1 receptor expressed in CHO cells				J Med Chem 49: 1231-4 (2006) Article DOI: 10.1021/jm0511280 BindingDB Entry DOI: 10.7270/Q2MW2GQ4
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50182456 (CHEMBL202089 | methyl 4'-{[({1-[(3,3,3-trifluoropr...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C22H21F3N2O4/c1-31-19(29)17-5-3-2-4-16(17)15-8-6-14(7-9-15)13-26-20(30)21(10-11-21)27-18(28)12-22(23,24)25/h2-9H,10-13H2,1H3,(H,26,30)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at Bradykinin B1 receptor				J Med Chem 54: 2529-91 (2011) Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH
					More data for this Ligand-Target Pair
BDKRB2 (Homo sapiens (Human))	BDBM50182456 (CHEMBL202089 | methyl 4'-{[({1-[(3,3,3-trifluoropr...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C22H21F3N2O4/c1-31-19(29)17-5-3-2-4-16(17)15-8-6-14(7-9-15)13-26-20(30)21(10-11-21)27-18(28)12-22(23,24)25/h2-9H,10-13H2,1H3,(H,26,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to bradykinin B2 receptor				J Med Chem 49: 1231-4 (2006) Article DOI: 10.1021/jm0511280 BindingDB Entry DOI: 10.7270/Q2MW2GQ4
					More data for this Ligand-Target Pair