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BDBM50355066 CHEMBL1835767

SMILES: CCc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12

InChI Key: InChIKey=OZGMWZQPDXMETP-WJOKGBTCSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50355066   
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))
BDBM50355066
PNG
(CHEMBL1835767)
Show SMILES CCc1nn(-c2ccc(cc2)C(=O)N[C@@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C33H36N4O2/c1-2-30-28-10-4-5-11-29(28)33(39)37(35-30)26-16-14-24(15-17-26)32(38)34-31-12-8-9-25-21-23(13-18-27(25)31)22-36-19-6-3-7-20-36/h4-5,10-11,13-18,21,31H,2-3,6-9,12,19-20,22H2,1H3,(H,34,38)/t31-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair