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BDBM50206968 CHEMBL3947646

SMILES: CC(C)(O)c1cncc(c1)-c1cn2cc(F)ccc2n1

InChI Key: InChIKey=KWGVNYGGODNQRT-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 = 50206968   
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))
BDBM50206968
PNG
(CHEMBL3947646)
Show SMILES CC(C)(O)c1cncc(c1)-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C15H14FN3O/c1-15(2,20)11-5-10(6-17-7-11)13-9-19-8-12(16)3-4-14(19)18-13/h3-9,20H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Merck USA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat...


Bioorg Med Chem Lett 27: 143-146 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50206968
PNG
(CHEMBL3947646)
Show SMILES CC(C)(O)c1cncc(c1)-c1cn2cc(F)ccc2n1
Show InChI InChI=1S/C15H14FN3O/c1-15(2,20)11-5-10(6-17-7-11)13-9-19-8-12(16)3-4-14(19)18-13/h3-9,20H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Merck USA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...


Bioorg Med Chem Lett 27: 143-146 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.003
BindingDB Entry DOI: 10.7270/Q20K2BK0
More data for this
Ligand-Target Pair