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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Steroid 17-alpha-hydroxylase/17,20 lyase' and Ligand = 'BDBM132099'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM132099
PNG
(USRE45173, 1A)
Show SMILES O=C1N(CCN1c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H15N3O/c22-18-20(10-11-21(18)17-6-3-9-19-13-17)16-8-7-14-4-1-2-5-15(14)12-16/h1-9,12-13H,10-11H2
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 34n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM132099
PNG
(USRE45173, 1A)
Show SMILES O=C1N(CCN1c1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C18H15N3O/c22-18-20(10-11-21(18)17-6-3-9-19-13-17)16-8-7-14-4-1-2-5-15(14)12-16/h1-9,12-13H,10-11H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 35n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cytochrome P450, 17-20 lyase (CYP17-lyase) assay development using recombinant human CYP17 enzyme and 17-alpha -hydroxy pregnenolone [21-3H] as the s...


US Patent USRE45173 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FT2
More data for this
Ligand-Target Pair