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BDBM50209745 (R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-(4-fluorophenyl)-3-(3-(trifluoromethyl)phenylsulfonamido)-propanamide::CHEMBL389249

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

InChI Key: InChIKey=POLHGSULGVCVRH-CLJLJLNGSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50209745   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209745
PNG
((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(F)cc1
Show InChI InChI=1S/C30H33F4N3O4S/c1-29(2,3)35-18-19-7-12-24-25(13-14-41-27(24)15-19)36-28(38)17-26(20-8-10-22(31)11-9-20)37-42(39,40)23-6-4-5-21(16-23)30(32,33)34/h4-12,15-16,25-26,35,37H,13-14,17-18H2,1-3H3,(H,36,38)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.80n/an/an/an/an/an/an/an/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))
BDBM50209745
PNG
((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(F)cc1
Show InChI InChI=1S/C30H33F4N3O4S/c1-29(2,3)35-18-19-7-12-24-25(13-14-41-27(24)15-19)36-28(38)17-26(20-8-10-22(31)11-9-20)37-42(39,40)23-6-4-5-21(16-23)30(32,33)34/h4-12,15-16,25-26,35,37H,13-14,17-18H2,1-3H3,(H,36,38)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9.90n/an/an/an/an/an/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