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BDBM50439065 CHEMBL2417638

SMILES: NC(=O)c1cncc(Cc2ccc(nc2)-c2ccccc2)c1

InChI Key: InChIKey=YHRFGYWVBGCSDE-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 = 50439065   
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))
BDBM50439065
PNG
(CHEMBL2417638)
Show SMILES NC(=O)c1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H15N3O/c19-18(22)16-9-14(10-20-12-16)8-13-6-7-17(21-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,19,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 427n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50439065
PNG
(CHEMBL2417638)
Show SMILES NC(=O)c1cncc(Cc2ccc(nc2)-c2ccccc2)c1
Show InChI InChI=1S/C18H15N3O/c19-18(22)16-9-14(10-20-12-16)8-13-6-7-17(21-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2,(H2,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.92E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate


J Med Chem 56: 6022-32 (2013)


Article DOI: 10.1021/jm400240r
BindingDB Entry DOI: 10.7270/Q20866QJ
More data for this
Ligand-Target Pair