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SMILES: CS(=O)(=O)N1CCC(C1)C(O)c1cncnc1Nc1ccc(F)cc1

InChI Key: InChIKey=NMQSZTPFFUGIPB-UHFFFAOYSA-N

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 = 50238119   
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, mitochondrial


(Homo sapiens (Human))
BDBM50238119
PNG
(CHEMBL4075207)
Show SMILES CS(=O)(=O)N1CCC(C1)C(O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C16H19FN4O3S/c1-25(23,24)21-7-6-11(9-21)15(22)14-8-18-10-19-16(14)20-13-4-2-12(17)3-5-13/h2-5,8,10-11,15,22H,6-7,9H2,1H3,(H,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 144n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP, competitive inhibition


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238119
PNG
(CHEMBL4075207)
Show SMILES CS(=O)(=O)N1CCC(C1)C(O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C16H19FN4O3S/c1-25(23,24)21-7-6-11(9-21)15(22)14-8-18-10-19-16(14)20-13-4-2-12(17)3-5-13/h2-5,8,10-11,15,22H,6-7,9H2,1H3,(H,18,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair