BDBM50202415 CHEMBL387331::methyl 4'-[({[1-(acetylamino)cyclopropyl]carbonyl}amino)-methyl]-3,3'-difluoro-1,1'-biphenyl-2-carboxylate

SMILES: COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(C)=O)c(F)c1

InChI Key: InChIKey=AFLACRRVENIZQO-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50202415   

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))	BDBM50202415 (CHEMBL387331 | methyl 4'-[({[1-(acetylamino)cyclop...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(C)=O)c(F)c1 Show InChI InChI=1S/C21H20F2N2O4/c1-12(26)25-21(8-9-21)20(28)24-11-14-7-6-13(10-17(14)23)15-4-3-5-16(22)18(15)19(27)29-2/h3-7,10H,8-9,11H2,1-2H3,(H,24,28)(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair
BDKRB2 (Homo sapiens (Human))	BDBM50202415 (CHEMBL387331 | methyl 4'-[({[1-(acetylamino)cyclop...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)C2(CC2)NC(C)=O)c(F)c1 Show InChI InChI=1S/C21H20F2N2O4/c1-12(26)25-21(8-9-21)20(28)24-11-14-7-6-13(10-17(14)23)15-4-3-5-16(22)18(15)19(27)29-2/h3-7,10H,8-9,11H2,1-2H3,(H,24,28)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human bradykinin B2 receptor				J Med Chem 50: 272-82 (2007) Article DOI: 10.1021/jm061094b BindingDB Entry DOI: 10.7270/Q2X63MMQ
					More data for this Ligand-Target Pair