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BDBM50127442 1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-[4-(4-pyridin-3-yl-piperazin-1-yl)-phenyl]-urea::CHEMBL299164

SMILES: CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2cccnc2)C1=O)C1CCCCC1

InChI Key: InChIKey=AIHOVEHIRAAXQV-UHFFFAOYNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50127442   
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))
BDBM50127442
PNG
(1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...)
Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2cccnc2)C1=O)C1CCCCC1
Show InChI InChI=1/C34H41N7O2/c1-2-19-41-30-13-7-6-12-29(30)31(25-9-4-3-5-10-25)37-32(33(41)42)38-34(43)36-26-14-16-27(17-15-26)39-20-22-40(23-21-39)28-11-8-18-35-24-28/h6-8,11-18,24-25,32H,2-5,9-10,19-23H2,1H3,(H2,36,38,43)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human bradykinin B1 receptor


J Med Chem 46: 1803-6 (2003)


Article DOI: 10.1021/jm034020y
BindingDB Entry DOI: 10.7270/Q29P32C6
More data for this
Ligand-Target Pair