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BDBM50362314 CHEMBL1939953

SMILES: CN1CCC2(CCN(C2)C(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cc(C)c(Cl)cc2C)C1

InChI Key: InChIKey=GEMVCGNPOWIVPK-ZZWBGTBQSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362314   
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))
BDBM50362314
PNG
(CHEMBL1939953)
Show SMILES CN1CCC2(CCN(C2)C(=O)C[C@H]2N(C=CNC2=O)S(=O)(=O)c2cc(C)c(Cl)cc2C)C1 |r,c:15|
Show InChI InChI=1S/C22H29ClN4O4S/c1-15-11-19(16(2)10-17(15)23)32(30,31)27-9-6-24-21(29)18(27)12-20(28)26-8-5-22(14-26)4-7-25(3)13-22/h6,9-11,18H,4-5,7-8,12-14H2,1-3H3,(H,24,29)/t18-,22?/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair