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BDBM50127447 1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(4-piperidin-1-yl-phenyl)-urea::CHEMBL299106

SMILES: CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCCCC2)C1=O)C1CCCCC1

InChI Key: InChIKey=JOSAHFXPKAYMQZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50127447   
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))
BDBM50127447
PNG
(1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...)
Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCCCC2)C1=O)C1CCCCC1
Show InChI InChI=1S/C30H39N5O2/c1-2-19-35-26-14-8-7-13-25(26)27(22-11-5-3-6-12-22)32-28(29(35)36)33-30(37)31-23-15-17-24(18-16-23)34-20-9-4-10-21-34/h7-8,13-18,22,28H,2-6,9-12,19-21H2,1H3,(H2,31,33,37)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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