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BDBM50092175 CHEMBL3582464

SMILES: CS(=O)(=O)c1ccc2n(C3CC3)c(nc2c1)-c1cccnc1

InChI Key: InChIKey=LRKWYKZRHAROOU-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 = 50092175   
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))
BDBM50092175
PNG
(CHEMBL3582464)
Show SMILES CS(=O)(=O)c1ccc2n(C3CC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O2S/c1-22(20,21)13-6-7-15-14(9-13)18-16(19(15)12-4-5-12)11-3-2-8-17-10-11/h2-3,6-10,12H,4-5H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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))
BDBM50092175
PNG
(CHEMBL3582464)
Show SMILES CS(=O)(=O)c1ccc2n(C3CC3)c(nc2c1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O2S/c1-22(20,21)13-6-7-15-14(9-13)18-16(19(15)12-4-5-12)11-3-2-8-17-10-11/h2-3,6-10,12H,4-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/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