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BDBM50322867 (R)-N-((R)-6-(3-(isopropylamino)prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-3-phenyl-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide::CHEMBL1210753

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

InChI Key: InChIKey=AVACJPQOQGXSMI-LOYHVIPDSA-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 = 50322867   
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))
BDBM50322867
PNG
((R)-N-((R)-6-(3-(isopropylamino)prop-1-en-2-yl)-1,...)
Show SMILES CC(C)NCC(=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/C32H36F3N3O3S/c1-21(2)36-20-22(3)24-15-16-28-25(17-24)11-7-14-29(28)37-31(39)19-30(23-9-5-4-6-10-23)38-42(40,41)27-13-8-12-26(18-27)32(33,34)35/h4-6,8-10,12-13,15-18,21,29-30,36,38H,3,7,11,14,19-20H2,1-2H3,(H,37,39)/t29-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.60n/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))
BDBM50322867
PNG
((R)-N-((R)-6-(3-(isopropylamino)prop-1-en-2-yl)-1,...)
Show SMILES CC(C)NCC(=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/C32H36F3N3O3S/c1-21(2)36-20-22(3)24-15-16-28-25(17-24)11-7-14-29(28)37-31(39)19-30(23-9-5-4-6-10-23)38-42(40,41)27-13-8-12-26(18-27)32(33,34)35/h4-6,8-10,12-13,15-18,21,29-30,36,38H,3,7,11,14,19-20H2,1-2H3,(H,37,39)/t29-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 42n/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