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PubMed code 27209562

Compile data set for download or QSAR
Found 6 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))		BDBM50408271
PNG
(CHEMBL2112517)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1ccn[nH]1 |c:21,t:7|
Show InChI InChI=1S/C22H30N2O/c1-21-10-7-15(25)13-14(21)3-4-16-17-5-6-19(20-9-12-23-24-20)22(17,2)11-8-18(16)21/h3,6,9,12,15-18,25H,4-5,7-8,10-11,13H2,1-2H3,(H,23,24)/t15-,16-,17-,18-,21-,22-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...

Eur J Med Chem 120: 284-95 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.006
BindingDB Entry DOI: 10.7270/Q26Q2065
More data for this
Ligand-Target Pair
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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Article
PubMed
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 assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...

Eur J Med Chem 120: 284-95 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.006
BindingDB Entry DOI: 10.7270/Q26Q2065
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50193127
PNG
(CHEMBL3966872)
Show SMILES [H][C@@]12CC=C(c3n[nH]cc3CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,24|
Show InChI InChI=1S/C23H32N2O2/c1-22-9-7-16(27)11-15(22)3-4-17-18-5-6-20(21-14(13-26)12-24-25-21)23(18,2)10-8-19(17)22/h3,6,12,16-19,26-27H,4-5,7-11,13H2,1-2H3,(H,24,25)/t16-,17-,18-,19-,22-,23-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...

Eur J Med Chem 120: 284-95 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.006
BindingDB Entry DOI: 10.7270/Q26Q2065
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50193125
PNG
(CHEMBL3912227)
Show SMILES [H][C@@]12CC=C(c3n[nH]cc3C=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,24|
Show InChI InChI=1S/C23H30N2O2/c1-22-9-7-16(27)11-15(22)3-4-17-18-5-6-20(21-14(13-26)12-24-25-21)23(18,2)10-8-19(17)22/h3,6,12-13,16-19,27H,4-5,7-11H2,1-2H3,(H,24,25)/t16-,17-,18-,19-,22-,23-/m0/s1
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Article
PubMed
n/an/a 66n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...

Eur J Med Chem 120: 284-95 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.006
BindingDB Entry DOI: 10.7270/Q26Q2065
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50193126
PNG
(CHEMBL3947033)
Show SMILES [H][C@@]12CC=C(c3n[nH]cc3C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:3,24|
Show InChI InChI=1S/C23H29N3O/c1-22-9-7-16(27)11-15(22)3-4-17-18-5-6-20(21-14(12-24)13-25-26-21)23(18,2)10-8-19(17)22/h3,6,13,16-19,27H,4-5,7-11H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1
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PubMed
n/an/a 92n/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat testicular C17,20-lyase assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...

Eur J Med Chem 120: 284-95 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.006
BindingDB Entry DOI: 10.7270/Q26Q2065
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Rattus norvegicus (Rat))		BDBM50193124
PNG
(CHEMBL318663)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cc2ccccc2)cc1 |t:3,6|
Show InChI InChI=1S/C18H21N5/c1-18(2)22-16(19)21-17(20)23(18)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
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UniProtKB/SwissProt

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PC cid
PC sid
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PubMed
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 assessed as androst-4-ene-3,17-dione formation using [3H]17-hydroxyprogesterone as substrate in pres...

Eur J Med Chem 120: 284-95 (2016)


Article DOI: 10.1016/j.ejmech.2016.05.006
BindingDB Entry DOI: 10.7270/Q26Q2065
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%