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BDBM50323360 4-(7-benzyl-6-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-5-yl)benzonitrile::CHEMBL1209775

SMILES: O=C1C(c2ccc(cc2)C#N)n2cncc2CN1Cc1ccccc1

InChI Key: InChIKey=PKHXGYUUXXTTBL-UHFFFAOYSA-N

Data: 2 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 = 50323360   
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
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50323360
PNG
(4-(7-benzyl-6-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]...)
Show SMILES O=C1C(c2ccc(cc2)C#N)n2cncc2CN1Cc1ccccc1
Show InChI InChI=1S/C20H16N4O/c21-10-15-6-8-17(9-7-15)19-20(25)23(12-16-4-2-1-3-5-16)13-18-11-22-14-24(18)19/h1-9,11,14,19H,12-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B1 by cell-based assay


Bioorg Med Chem Lett 20: 4324-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.086
BindingDB Entry DOI: 10.7270/Q2QJ7HGS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50323360
PNG
(4-(7-benzyl-6-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]...)
Show SMILES O=C1C(c2ccc(cc2)C#N)n2cncc2CN1Cc1ccccc1
Show InChI InChI=1S/C20H16N4O/c21-10-15-6-8-17(9-7-15)19-20(25)23(12-16-4-2-1-3-5-16)13-18-11-22-14-24(18)19/h1-9,11,14,19H,12-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 by cell-based assay


Bioorg Med Chem Lett 20: 4324-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.086
BindingDB Entry DOI: 10.7270/Q2QJ7HGS
More data for this
Ligand-Target Pair