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BDBM50275533 CHEMBL4129296

SMILES: CO[C@@H]1Cc2c(cnn2C1)-c1ccc(cc1C)C#N

InChI Key: InChIKey=LFTOGGYWYLISEO-GFCCVEGCSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50275533   
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))
BDBM50275533
PNG
(CHEMBL4129296)
Show SMILES CO[C@@H]1Cc2c(cnn2C1)-c1ccc(cc1C)C#N |r|
Show InChI InChI=1S/C15H15N3O/c1-10-5-11(7-16)3-4-13(10)14-8-17-18-9-12(19-2)6-15(14)18/h3-5,8,12H,6,9H2,1-2H3/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a<100n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50275533
PNG
(CHEMBL4129296)
Show SMILES CO[C@@H]1Cc2c(cnn2C1)-c1ccc(cc1C)C#N |r|
Show InChI InChI=1S/C15H15N3O/c1-10-5-11(7-16)3-4-13(10)14-8-17-18-9-12(19-2)6-15(14)18/h3-5,8,12H,6,9H2,1-2H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...


J Med Chem 61: 5594-5608 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00328
BindingDB Entry DOI: 10.7270/Q2F47RN9
More data for this
Ligand-Target Pair