BDBM50209732 (R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-(3-chloro-4-fluorophenylsulfonamido)-3-phenylpropanamide::CHEMBL388720

SMILES: CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1

InChI Key: InChIKey=TVVRKNMDJNTDNA-CLJLJLNGSA-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 = 50209732   

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))	BDBM50209732 ((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...) Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C29H33ClFN3O4S/c1-29(2,3)32-18-19-9-11-22-25(13-14-38-27(22)15-19)33-28(35)17-26(20-7-5-4-6-8-20)34-39(36,37)21-10-12-24(31)23(30)16-21/h4-12,15-16,25-26,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t25-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells				J Med Chem 50: 2200-12 (2007) Article DOI: 10.1021/jm070055c BindingDB Entry DOI: 10.7270/Q2MS3SG2
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50209732 ((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...) Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1 Show InChI InChI=1S/C29H33ClFN3O4S/c1-29(2,3)32-18-19-9-11-22-25(13-14-38-27(22)15-19)33-28(35)17-26(20-7-5-4-6-8-20)34-39(36,37)21-10-12-24(31)23(30)16-21/h4-12,15-16,25-26,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t25-,26-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux				J Med Chem 50: 2200-12 (2007) Article DOI: 10.1021/jm070055c BindingDB Entry DOI: 10.7270/Q2MS3SG2
					More data for this Ligand-Target Pair