BindingDB logo
myBDB logout

BDBM50092162 CHEMBL3582456

SMILES: Fc1ccc2nc(-c3cccnc3)n(Cc3ccccc3)c2c1

InChI Key: InChIKey=UMRWGWXJHZYFAP-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 = 50092162   
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 (CYP11B2)


(Homo sapiens (Human))
BDBM50092162
PNG
(CHEMBL3582456)
Show SMILES Fc1ccc2nc(-c3cccnc3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H14FN3/c20-16-8-9-17-18(11-16)23(13-14-5-2-1-3-6-14)19(22-17)15-7-4-10-21-12-15/h1-12H,13H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 607n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 cells incubated for 1 hr before 11-deoxycorticosterone substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50092162
PNG
(CHEMBL3582456)
Show SMILES Fc1ccc2nc(-c3cccnc3)n(Cc3ccccc3)c2c1
Show InChI InChI=1S/C19H14FN3/c20-16-8-9-17-18(11-16)23(13-14-5-2-1-3-6-14)19(22-17)15-7-4-10-21-12-15/h1-12H,13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.33E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 cells incubated for 1 hr before 11-deoxycortisol substrate addition by HTRF-based assay


ACS Med Chem Lett 6: 573-8 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00054
BindingDB Entry DOI: 10.7270/Q2K64KT8
More data for this
Ligand-Target Pair