BDBM50182454 CHEMBL201107::methyl 4'-{[({1-[(3,3,3-trifluoropropanoyl)amino]cyclohexyl}carbonyl)amino]methyl}-1,1'-biphenyl-2-carboxylate

SMILES: COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCCCC2)NC(=O)CC(F)(F)F)cc1

InChI Key: InChIKey=ZAVGJTCHPQJARU-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 = 50182454   

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))	BDBM50182454 (CHEMBL201107 | methyl 4'-{[({1-[(3,3,3-trifluoropr...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCCCC2)NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C25H27F3N2O4/c1-34-22(32)20-8-4-3-7-19(20)18-11-9-17(10-12-18)16-29-23(33)24(13-5-2-6-14-24)30-21(31)15-25(26,27)28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,29,33)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	752	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
BDKRB2 (Homo sapiens (Human))	BDBM50182454 (CHEMBL201107 | methyl 4'-{[({1-[(3,3,3-trifluoropr...) Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCCCC2)NC(=O)CC(F)(F)F)cc1 Show InChI InChI=1S/C25H27F3N2O4/c1-34-22(32)20-8-4-3-7-19(20)18-11-9-17(10-12-18)16-29-23(33)24(13-5-2-6-14-24)30-21(31)15-25(26,27)28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,29,33)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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