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BDBM50322863 (R)-N-((R)-6-(3-(2-hydroxyethylamino)prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-3-phenyl-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide::CHEMBL1210749

SMILES: OCCNCC(=C)c1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=DTSPNUNPHBMSBL-FQLXRVMXSA-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 = 50322863   
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50322863
PNG
((R)-N-((R)-6-(3-(2-hydroxyethylamino)prop-1-en-2-y...)
Show SMILES OCCNCC(=C)c1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C31H34F3N3O4S/c1-21(20-35-15-16-38)23-13-14-27-24(17-23)9-5-12-28(27)36-30(39)19-29(22-7-3-2-4-8-22)37-42(40,41)26-11-6-10-25(18-26)31(32,33)34/h2-4,6-8,10-11,13-14,17-18,28-29,35,37-38H,1,5,9,12,15-16,19-20H2,(H,36,39)/t28-,29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Lys-desArg9-BK from human bradykinin B1 receptor


Bioorg Med Chem Lett 20: 4593-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.010
BindingDB Entry DOI: 10.7270/Q25Q4W88
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50322863
PNG
((R)-N-((R)-6-(3-(2-hydroxyethylamino)prop-1-en-2-y...)
Show SMILES OCCNCC(=C)c1ccc2[C@@H](CCCc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C31H34F3N3O4S/c1-21(20-35-15-16-38)23-13-14-27-24(17-23)9-5-12-28(27)36-30(39)19-29(22-7-3-2-4-8-22)37-42(40,41)26-11-6-10-25(18-26)31(32,33)34/h2-4,6-8,10-11,13-14,17-18,28-29,35,37-38H,1,5,9,12,15-16,19-20H2,(H,36,39)/t28-,29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor assessed as inhibition of Lys-desArg9-BK-induced calcium flux


Bioorg Med Chem Lett 20: 4593-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.010
BindingDB Entry DOI: 10.7270/Q25Q4W88
More data for this
Ligand-Target Pair