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PubMed code 15214782

Compile data set for download or QSAR
Found 36 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


(Homo sapiens (Human))		BDBM50092485
PNG
(4-methyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(Cl)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C14H14ClNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3
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n/an/a 5.80n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149341
PNG
(8-Bromo-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]q...)
Show SMILES CC1=C2CCc3cc(Br)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C14H14BrNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3
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n/an/a 8.10n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149339
PNG
(4-Methyl-8-phenylethynyl-1,2,5,6-tetrahydro-pyrido...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C#Cc1ccccc1 |c:1|
Show InChI InChI=1S/C22H19NO/c1-16-20-12-10-19-15-18(8-7-17-5-3-2-4-6-17)9-11-21(19)23(20)14-13-22(16)24/h2-6,9,11,15H,10,12-14H2,1H3
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n/an/a 8.75n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149329
PNG
(8-Ethyl-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]q...)
Show SMILES CCc1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:12|
Show InChI InChI=1S/C16H19NO/c1-3-12-4-6-15-13(10-12)5-7-14-11(2)16(18)8-9-17(14)15/h4,6,10H,3,5,7-9H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149324
PNG
(4-Methyl-8-((Z)-styryl)-1,2,5,6-tetrahydro-pyrido[...)
Show SMILES CC1=C2CCc3cc(\C=C/c4ccccc4)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C22H21NO/c1-16-20-12-10-19-15-18(8-7-17-5-3-2-4-6-17)9-11-21(19)23(20)14-13-22(16)24/h2-9,11,15H,10,12-14H2,1H3/b8-7-
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n/an/a 14.2n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50092492
PNG
(4,8-Dimethyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quino...)
Show SMILES CC1=C2CCc3cc(C)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50025356
PNG
(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C |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)
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n/an/a 21n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type 2 in stably transfected chinese hamster ovary 1827 cells using [3H]...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149335
PNG
(4-Methyl-8-vinyl-1,2,5,6-tetrahydro-pyrido[1,2-a]q...)
Show SMILES CC1=C2CCc3cc(C=C)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C16H17NO/c1-3-12-4-6-15-13(10-12)5-7-14-11(2)16(18)8-9-17(14)15/h3-4,6,10H,1,5,7-9H2,2H3
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n/an/a 21.6n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50085564
PNG
(8-Chloro-1,2,5,6-tetrahydro-pyrido[1,2-a]quinolin-...)
Show SMILES Clc1ccc2N3CCC(=O)C=C3CCc2c1 |c:10|
Show InChI InChI=1S/C13H12ClNO/c14-10-2-4-13-9(7-10)1-3-11-8-12(16)5-6-15(11)13/h2,4,7-8H,1,3,5-6H2
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n/an/a 49n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149326
PNG
(4-Methyl-8-thiophen-2-yl-1,2,5,6-tetrahydro-pyrido...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)-c1cccs1 |c:1|
Show InChI InChI=1S/C18H17NOS/c1-12-15-6-4-13-11-14(18-3-2-10-21-18)5-7-16(13)19(15)9-8-17(12)20/h2-3,5,7,10-11H,4,6,8-9H2,1H3
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n/an/a 79n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149325
PNG
(4-Methyl-8-(4-trifluoromethyl-benzyloxy)-1,2,5,6-t...)
Show SMILES CC1=C2CCc3cc(OCc4ccc(cc4)C(F)(F)F)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C22H20F3NO2/c1-14-19-8-4-16-12-18(7-9-20(16)26(19)11-10-21(14)27)28-13-15-2-5-17(6-3-15)22(23,24)25/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3
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n/an/a 83.7n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149332
PNG
(8-(4-Chloro-benzyloxy)-4-methyl-1,2,5,6-tetrahydro...)
Show SMILES CC1=C2CCc3cc(OCc4ccc(Cl)cc4)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C21H20ClNO2/c1-14-19-8-4-16-12-18(25-13-15-2-5-17(22)6-3-15)7-9-20(16)23(19)11-10-21(14)24/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3
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n/an/a 92.9n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149340
PNG
(8-(3-Chloro-benzyloxy)-4-methyl-1,2,5,6-tetrahydro...)
Show SMILES CC1=C2CCc3cc(OCc4cccc(Cl)c4)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C21H20ClNO2/c1-14-19-7-5-16-12-18(25-13-15-3-2-4-17(22)11-15)6-8-20(16)23(19)10-9-21(14)24/h2-4,6,8,11-12H,5,7,9-10,13H2,1H3
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n/an/a 93n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149343
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OCc1ccccc1 |c:1|
Show InChI InChI=1S/C22H21NO3/c1-15-19-9-7-17-13-18(8-10-20(17)23(19)12-11-21(15)24)22(25)26-14-16-5-3-2-4-6-16/h2-6,8,10,13H,7,9,11-12,14H2,1H3
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n/an/a 96.8n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149321
PNG
(8-Benzyloxy-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2...)
Show SMILES CC1=C2CCc3cc(OCc4ccccc4)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C21H21NO2/c1-15-19-9-7-17-13-18(24-14-16-5-3-2-4-6-16)8-10-20(17)22(19)12-11-21(15)23/h2-6,8,10,13H,7,9,11-12,14H2,1H3
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n/an/a 111n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149345
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES COC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:14|
Show InChI InChI=1S/C16H17NO3/c1-10-13-5-3-11-9-12(16(19)20-2)4-6-14(11)17(13)8-7-15(10)18/h4,6,9H,3,5,7-8H2,1-2H3
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n/an/a 117n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149330
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES COC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:21|
Show InChI InChI=1S/C23H21NO5/c1-14-19-9-5-16-13-17(6-10-20(16)24(19)12-11-21(14)25)23(27)29-18-7-3-15(4-8-18)22(26)28-2/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3
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n/an/a 121n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149344
PNG
(4-Methyl-8-phenyl-1,2,5,6-tetrahydro-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)-c1ccccc1 |c:1|
Show InChI InChI=1S/C20H19NO/c1-14-18-9-8-17-13-16(15-5-3-2-4-6-15)7-10-19(17)21(18)12-11-20(14)22/h2-7,10,13H,8-9,11-12H2,1H3
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n/an/a 128n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149333
PNG
(8-Furan-2-yl-4-methyl-1,2,5,6-tetrahydro-pyrido[1,...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)-c1ccco1 |c:1|
Show InChI InChI=1S/C18H17NO2/c1-12-15-6-4-13-11-14(18-3-2-10-21-18)5-7-16(13)19(15)9-8-17(12)20/h2-3,5,7,10-11H,4,6,8-9H2,1H3
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n/an/a 133n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149319
PNG
(8-(2,4-Bis-trifluoromethyl-benzyloxy)-4-methyl-1,2...)
Show SMILES CC1=C2CCc3cc(OCc4ccc(cc4C(F)(F)F)C(F)(F)F)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C23H19F6NO2/c1-13-19-6-3-14-10-17(5-7-20(14)30(19)9-8-21(13)31)32-12-15-2-4-16(22(24,25)26)11-18(15)23(27,28)29/h2,4-5,7,10-11H,3,6,8-9,12H2,1H3
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n/an/a 149n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149322
PNG
(4-Methyl-8-pyridin-3-yl-1,2,5,6-tetrahydro-pyrido[...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)-c1cccnc1 |c:1|
Show InChI InChI=1S/C19H18N2O/c1-13-17-6-5-15-11-14(16-3-2-9-20-12-16)4-7-18(15)21(17)10-8-19(13)22/h2-4,7,9,11-12H,5-6,8,10H2,1H3
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n/an/a 170n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149338
PNG
(8-Methoxy-4-methyl-1,2,5,6-tetrahydro-pyrido[1,2-a...)
Show SMILES COc1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:12|
Show InChI InChI=1S/C15H17NO2/c1-10-13-5-3-11-9-12(18-2)4-6-14(11)16(13)8-7-15(10)17/h4,6,9H,3,5,7-8H2,1-2H3
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n/an/a 178n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50092502
PNG
(4-Methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quinolin-...)
Show SMILES CC1=C2CCc3ccccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C14H15NO/c1-10-12-7-6-11-4-2-3-5-13(11)15(12)9-8-14(10)16/h2-5H,6-9H2,1H3
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n/an/a 185n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149334
PNG
(8-(2-Chloro-benzyloxy)-4-methyl-1,2,5,6-tetrahydro...)
Show SMILES CC1=C2CCc3cc(OCc4ccccc4Cl)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C21H20ClNO2/c1-14-19-8-6-15-12-17(25-13-16-4-2-3-5-18(16)22)7-9-20(15)23(19)11-10-21(14)24/h2-5,7,9,12H,6,8,10-11,13H2,1H3
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n/an/a 194n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149342
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CCOC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:15|
Show InChI InChI=1S/C17H19NO3/c1-3-21-17(20)13-5-7-15-12(10-13)4-6-14-11(2)16(19)8-9-18(14)15/h5,7,10H,3-4,6,8-9H2,1-2H3
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n/an/a 221n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50072191
PNG
(1,2,5,6-Tetrahydro-pyrido[1,2-a]quinolin-3-one | 1...)
Show SMILES O=C1CCN2C(CCc3ccccc23)=C1 |c:15|
Show InChI InChI=1S/C13H13NO/c15-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-4,9H,5-8H2
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n/an/a 298n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50092497
PNG
(8-Methyl-1,2,5,6-tetrahydro-pyrido[1,2-a]quinolin-...)
Show SMILES Cc1ccc2N3CCC(=O)C=C3CCc2c1 |c:10|
Show InChI InChI=1S/C14H15NO/c1-10-2-5-14-11(8-10)3-4-12-9-13(16)6-7-15(12)14/h2,5,8-9H,3-4,6-7H2,1H3
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n/an/a 376n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149327
PNG
(4-Methyl-8-((E)-styryl)-1,2,5,6-tetrahydro-pyrido[...)
Show SMILES CC1=C2CCc3cc(\C=C\c4ccccc4)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C22H21NO/c1-16-20-12-10-19-15-18(8-7-17-5-3-2-4-6-17)9-11-21(19)23(20)14-13-22(16)24/h2-9,11,15H,10,12-14H2,1H3/b8-7+
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n/an/a 380n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149328
PNG
(8-(2,5-Bis-trifluoromethyl-benzyloxy)-4-methyl-1,2...)
Show SMILES CC1=C2CCc3cc(OCc4cc(ccc4C(F)(F)F)C(F)(F)F)ccc3N2CCC1=O |c:1|
Show InChI InChI=1S/C23H19F6NO2/c1-13-19-6-2-14-11-17(4-7-20(14)30(19)9-8-21(13)31)32-12-15-10-16(22(24,25)26)3-5-18(15)23(27,28)29/h3-5,7,10-11H,2,6,8-9,12H2,1H3
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n/an/a 393n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149337
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(C)(C)C |c:1|
Show InChI InChI=1S/C25H27NO3/c1-16-21-11-5-17-15-18(6-12-22(17)26(21)14-13-23(16)27)24(28)29-20-9-7-19(8-10-20)25(2,3)4/h6-10,12,15H,5,11,13-14H2,1-4H3
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n/an/a 560n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149336
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC(C)OC(=O)c1ccc2N3CCC(=O)C(C)=C3CCc2c1 |c:16|
Show InChI InChI=1S/C18H21NO3/c1-11(2)22-18(21)14-5-7-16-13(10-14)4-6-15-12(3)17(20)8-9-19(15)16/h5,7,10-11H,4,6,8-9H2,1-3H3
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n/an/a 731n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50025356
PNG
(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C |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)
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n/an/a 911n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149331
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1 |c:1|
Show InChI InChI=1S/C21H19NO3/c1-14-18-9-7-15-13-16(21(24)25-17-5-3-2-4-6-17)8-10-19(15)22(18)12-11-20(14)23/h2-6,8,10,13H,7,9,11-12H2,1H3
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n/an/a 942n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149323
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES COC(=O)c1cccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)c1 |c:22|
Show InChI InChI=1S/C23H21NO5/c1-14-19-8-6-15-12-17(7-9-20(15)24(19)11-10-21(14)25)23(27)29-18-5-3-4-16(13-18)22(26)28-2/h3-5,7,9,12-13H,6,8,10-11H2,1-2H3
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n/an/a 965n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149320
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OC(C)(C)C |c:1|
Show InChI InChI=1S/C19H23NO3/c1-12-15-7-5-13-11-14(18(22)23-19(2,3)4)6-8-16(13)20(15)10-9-17(12)21/h6,8,11H,5,7,9-10H2,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50149346
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(C)cc1 |c:1|
Show InChI InChI=1S/C22H21NO3/c1-14-3-7-18(8-4-14)26-22(25)17-6-10-20-16(13-17)5-9-19-15(2)21(24)11-12-23(19)20/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant steroid 5-alpha-reductase type I in stably transfected chinese hamster ovary (CHO) 1827 cells usin...

J Med Chem 47: 3546-60 (2004)


Article DOI: 10.1021/jm031131o
BindingDB Entry DOI: 10.7270/Q24J0DKZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%