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BDBM50209747 (R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-phenyl-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide::CHEMBL227778

SMILES: CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=WLZHGXRFLCIBPM-CLJLJLNGSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50209747   
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))
BDBM50209747
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)c1ccccc1
Show InChI InChI=1S/C30H34F3N3O4S/c1-29(2,3)34-19-20-12-13-24-25(14-15-40-27(24)16-20)35-28(37)18-26(21-8-5-4-6-9-21)36-41(38,39)23-11-7-10-22(17-23)30(31,32)33/h4-13,16-17,25-26,34,36H,14-15,18-19H2,1-3H3,(H,35,37)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
17.9n/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))
BDBM50209747
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)c1ccccc1
Show InChI InChI=1S/C30H34F3N3O4S/c1-29(2,3)34-19-20-12-13-24-25(14-15-40-27(24)16-20)35-28(37)18-26(21-8-5-4-6-9-21)36-41(38,39)23-11-7-10-22(17-23)30(31,32)33/h4-13,16-17,25-26,34,36H,14-15,18-19H2,1-3H3,(H,35,37)/t25-,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 78.4n/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