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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 = 'BDBM50061166'   
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))
BDBM50061166
PNG
((10R,13S)-10,13-Dimethyl-17-(2-methyl-2H-pyrazol-3...)
Show SMILES Cn1nccc1C1=CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C |t:7,13|
Show InChI InChI=1S/C23H32N2O/c1-22-11-8-16(26)14-15(22)4-5-17-18-6-7-20(21-10-13-24-25(21)3)23(18,2)12-9-19(17)22/h4,7,10,13,16-19,26H,5-6,8-9,11-12,14H2,1-3H3/t16?,17?,18?,19?,22-,23-/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human testicular microsomal Cytochrome P450 17A1


J Med Chem 40: 3297-304 (1997)


Article DOI: 10.1021/jm970337k
BindingDB Entry DOI: 10.7270/Q2ZS2VMD
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))
BDBM50061166
PNG
((10R,13S)-10,13-Dimethyl-17-(2-methyl-2H-pyrazol-3...)
Show SMILES Cn1nccc1C1=CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C |t:7,13|
Show InChI InChI=1S/C23H32N2O/c1-22-11-8-16(26)14-15(22)4-5-17-18-6-7-20(21-10-13-24-25(21)3)23(18,2)12-9-19(17)22/h4,7,10,13,16-19,26H,5-6,8-9,11-12,14H2,1-3H3/t16?,17?,18?,19?,22-,23-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rat testicual micrososmal Cytochrome P450 17A1


J Med Chem 40: 3297-304 (1997)


Article DOI: 10.1021/jm970337k
BindingDB Entry DOI: 10.7270/Q2ZS2VMD
More data for this
Ligand-Target Pair