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BDBM50500191 CHEMBL3747584

SMILES: Cc1c(-c2cccnc2)n(C)c2ccccc12

InChI Key: InChIKey=OYMBIOMXTNJALB-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 = 50500191   
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 11B2


(Homo sapiens (Human))
BDBM50500191
PNG
(CHEMBL3747584)
Show SMILES Cc1c(-c2cccnc2)n(C)c2ccccc12
Show InChI InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA


J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (Human))
BDBM50500191
PNG
(CHEMBL3747584)
Show SMILES Cc1c(-c2cccnc2)n(C)c2ccccc12
Show InChI InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay


J Med Chem 58: 9382-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01545
BindingDB Entry DOI: 10.7270/Q2CC13QV
More data for this
Ligand-Target Pair