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PubMed code 9871588

Compile data set for download or QSAR
Found 5 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
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2


(Rattus norvegicus)		BDBM50216164
PNG
(CHEMBL133338)
Show SMILES CCCCCCCCNC(=O)[C@H]1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H46N2O2/c1-4-5-6-7-8-9-18-28-25(31)22-12-11-20-19-10-13-23-27(3,17-15-24(30)29-23)21(19)14-16-26(20,22)2/h19-23H,4-18H2,1-3H3,(H,28,31)(H,29,30)/t19?,20?,21?,22-,23?,26+,27-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase in rat

Bioorg Med Chem Lett 8: 409-14 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8FDB
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Rattus norvegicus)		BDBM50334788
PNG
((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18|
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase type 1 in rat

Bioorg Med Chem Lett 8: 409-14 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8FDB
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2


(Rattus norvegicus)		BDBM50216167
PNG
(CHEMBL134224)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)/t14?,15?,16?,17-,18?,22+,23-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase in rat

Bioorg Med Chem Lett 8: 409-14 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8FDB
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2


(Rattus norvegicus)		BDBM50216166
PNG
(CHEMBL3349181)
Show SMILES [H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])NC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C23H38N2O2/c1-5-25(6-2)21(27)18-9-8-16-15-7-10-19-23(4,14-12-20(26)24-19)17(15)11-13-22(16,18)3/h15-19H,5-14H2,1-4H3,(H,24,26)/t15-,16-,17-,18+,19-,22-,23+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase in rat

Bioorg Med Chem Lett 8: 409-14 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8FDB
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2


(Rattus norvegicus)		BDBM50216168
PNG
(CHEMBL132778)
Show SMILES [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:3,24|
Show InChI InChI=1S/C24H29NO/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/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase in rat

Bioorg Med Chem Lett 8: 409-14 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8FDB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%