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PubMed code 24211641

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))		BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23|
Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins

Eur J Med Chem 70: 649-60 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.038
BindingDB Entry DOI: 10.7270/Q2C24XVM
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins

Eur J Med Chem 70: 649-60 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.038
BindingDB Entry DOI: 10.7270/Q2C24XVM
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50443526
PNG
(CHEMBL3087962)
Show SMILES Cc1noc(n1)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:7,13|
Show InChI InChI=1S/C22H30N2O2/c1-13-23-20(26-24-13)19-7-6-17-16-5-4-14-12-15(25)8-10-21(14,2)18(16)9-11-22(17,19)3/h4,7,15-18,25H,5-6,8-12H2,1-3H3/t15-,16-,17-,18-,21-,22-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat testicular C17,20-lyase using [3H]17-hydroxyprogesterone as substrate preincubated for 20 mins

Eur J Med Chem 70: 649-60 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.038
BindingDB Entry DOI: 10.7270/Q2C24XVM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%