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BDBM50209739 (R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl)-3-(5-chloro-2,4-difluorophenylsulfonamido)-3-phenylpropanamide::CHEMBL387982

SMILES: CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1F)c1ccccc1

InChI Key: InChIKey=SDHWXODIKXBHDY-JWQCQUIFSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50209739   
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))
BDBM50209739
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)c1cc(Cl)c(F)cc1F)c1ccccc1
Show InChI InChI=1S/C29H32ClF2N3O4S/c1-29(2,3)33-17-18-9-10-20-24(11-12-39-26(20)13-18)34-28(36)16-25(19-7-5-4-6-8-19)35-40(37,38)27-14-21(30)22(31)15-23(27)32/h4-10,13-15,24-25,33,35H,11-12,16-17H2,1-3H3,(H,34,36)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
20.6n/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))
BDBM50209739
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)c1cc(Cl)c(F)cc1F)c1ccccc1
Show InChI InChI=1S/C29H32ClF2N3O4S/c1-29(2,3)33-17-18-9-10-20-24(11-12-39-26(20)13-18)34-28(36)16-25(19-7-5-4-6-8-19)35-40(37,38)27-14-21(30)22(31)15-23(27)32/h4-10,13-15,24-25,33,35H,11-12,16-17H2,1-3H3,(H,34,36)/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 127n/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