BDBM50209722 (R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-(4-cyanophenyl)-3-(3-(trifluoromethyl)phenylsulfonamido)-propanamide::CHEMBL389477

SMILES: CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N

InChI Key: InChIKey=WWESSKDHVYOOLA-KAYWLYCHSA-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 = 50209722   

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))	BDBM50209722 ((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)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N Show InChI InChI=1S/C31H33F3N4O4S/c1-30(2,3)36-19-21-9-12-25-26(13-14-42-28(25)15-21)37-29(39)17-27(22-10-7-20(18-35)8-11-22)38-43(40,41)24-6-4-5-23(16-24)31(32,33)34/h4-12,15-16,26-27,36,38H,13-14,17,19H2,1-3H3,(H,37,39)/t26-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	120	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))	BDBM50209722 ((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)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N Show InChI InChI=1S/C31H33F3N4O4S/c1-30(2,3)36-19-21-9-12-25-26(13-14-42-28(25)15-21)37-29(39)17-27(22-10-7-20(18-35)8-11-22)38-43(40,41)24-6-4-5-23(16-24)31(32,33)34/h4-12,15-16,26-27,36,38H,13-14,17,19H2,1-3H3,(H,37,39)/t26-,27-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	566	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