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PubMed code 15582428

Compile data set for download or QSAR
Found 47 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))		BDBM50157233
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1C(F)(F)F |c:1|
Show InChI InChI=1S/C22H18F3NO3/c1-13-17-8-6-14-12-15(7-9-18(14)26(17)11-10-19(13)27)21(28)29-20-5-3-2-4-16(20)22(23,24)25/h2-5,7,9,12H,6,8,10-11H2,1H3
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n/an/a 42n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157226
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(F)cc1 |c:1|
Show InChI InChI=1S/C21H18FNO3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11H2,1H3
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n/an/a 93n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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 97n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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 102n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157223
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES COc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:19|
Show InChI InChI=1S/C22H21NO4/c1-14-19-9-3-15-13-16(4-10-20(15)23(19)12-11-21(14)24)22(25)27-18-7-5-17(26-2)6-8-18/h4-8,10,13H,3,9,11-12H2,1-2H3
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n/an/a 116n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157226
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(F)cc1 |c:1|
Show InChI InChI=1S/C21H18FNO3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11H2,1H3
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n/an/a 119n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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 129n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157219
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(F)c1 |c:1|
Show InChI InChI=1S/C21H18FNO3/c1-13-18-7-5-14-11-15(6-8-19(14)23(18)10-9-20(13)24)21(25)26-17-4-2-3-16(22)12-17/h2-4,6,8,11-12H,5,7,9-10H2,1H3
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n/an/a 134n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157221
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1F |c:1|
Show InChI InChI=1S/C21H18FNO3/c1-13-17-8-6-14-12-15(7-9-18(14)23(17)11-10-19(13)24)21(25)26-20-5-3-2-4-16(20)22/h2-5,7,9,12H,6,8,10-11H2,1H3
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n/an/a 138n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157229
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(F)(F)F |c:1|
Show InChI InChI=1S/C22H18F3NO3/c1-13-18-8-2-14-12-15(3-9-19(14)26(18)11-10-20(13)27)21(28)29-17-6-4-16(5-7-17)22(23,24)25/h3-7,9,12H,2,8,10-11H2,1H3
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n/an/a 149n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157219
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(F)c1 |c:1|
Show InChI InChI=1S/C21H18FNO3/c1-13-18-7-5-14-11-15(6-8-19(14)23(18)10-9-20(13)24)21(25)26-17-4-2-3-16(22)12-17/h2-4,6,8,11-12H,5,7,9-10H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157221
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1F |c:1|
Show InChI InChI=1S/C21H18FNO3/c1-13-17-8-6-14-12-15(7-9-18(14)23(17)11-10-19(13)24)21(25)26-20-5-3-2-4-16(20)22/h2-5,7,9,12H,6,8,10-11H2,1H3
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n/an/a 166n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157231
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CCOc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:20|
Show InChI InChI=1S/C23H23NO4/c1-3-27-18-6-8-19(9-7-18)28-23(26)17-5-11-21-16(14-17)4-10-20-15(2)22(25)12-13-24(20)21/h5-9,11,14H,3-4,10,12-13H2,1-2H3
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n/an/a 209n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157224
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(=O)NC(C)(C)C |c:1|
Show InChI InChI=1S/C26H28N2O4/c1-16-21-11-7-18-15-19(8-12-22(18)28(21)14-13-23(16)29)25(31)32-20-9-5-17(6-10-20)24(30)27-26(2,3)4/h5-6,8-10,12,15H,7,11,13-14H2,1-4H3,(H,27,30)
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n/an/a 225n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157220
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC(=O)Nc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:21|
Show InChI InChI=1S/C23H22N2O4/c1-14-20-9-3-16-13-17(4-10-21(16)25(20)12-11-22(14)27)23(28)29-19-7-5-18(6-8-19)24-15(2)26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,24,26)
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n/an/a 255n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157218
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CCCNC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:23|
Show InChI InChI=1S/C25H26N2O4/c1-3-13-26-24(29)17-4-8-20(9-5-17)31-25(30)19-7-11-22-18(15-19)6-10-21-16(2)23(28)12-14-27(21)22/h4-5,7-9,11,15H,3,6,10,12-14H2,1-2H3,(H,26,29)
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n/an/a 268n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157230
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(c1)C(F)(F)F |c:1|
Show InChI InChI=1S/C22H18F3NO3/c1-13-18-7-5-14-11-15(6-8-19(14)26(18)10-9-20(13)27)21(28)29-17-4-2-3-16(12-17)22(23,24)25/h2-4,6,8,11-12H,5,7,9-10H2,1H3
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n/an/a 271n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157232
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(N)cc1 |c:1|
Show InChI InChI=1S/C21H20N2O3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11,22H2,1H3
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n/an/a 272n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(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 295n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157222
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(N)=O |c:1|
Show InChI InChI=1S/C22H20N2O4/c1-13-18-8-4-15-12-16(5-9-19(15)24(18)11-10-20(13)25)22(27)28-17-6-2-14(3-7-17)21(23)26/h2-3,5-7,9,12H,4,8,10-11H2,1H3,(H2,23,26)
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n/an/a 308n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157222
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(N)=O |c:1|
Show InChI InChI=1S/C22H20N2O4/c1-13-18-8-4-15-12-16(5-9-19(15)24(18)11-10-20(13)25)22(27)28-17-6-2-14(3-7-17)21(23)26/h2-3,5-7,9,12H,4,8,10-11H2,1H3,(H2,23,26)
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n/an/a 361n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157233
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccccc1C(F)(F)F |c:1|
Show InChI InChI=1S/C22H18F3NO3/c1-13-17-8-6-14-12-15(7-9-18(14)26(17)11-10-19(13)27)21(28)29-20-5-3-2-4-16(20)22(23,24)25/h2-5,7,9,12H,6,8,10-11H2,1H3
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n/an/a 368n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157225
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:24|
Show InChI InChI=1S/C26H28N2O4/c1-4-27(5-2)25(30)18-6-10-21(11-7-18)32-26(31)20-9-13-23-19(16-20)8-12-22-17(3)24(29)14-15-28(22)23/h6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3
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n/an/a 372n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157225
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CCN(CC)C(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:24|
Show InChI InChI=1S/C26H28N2O4/c1-4-27(5-2)25(30)18-6-10-21(11-7-18)32-26(31)20-9-13-23-19(16-20)8-12-22-17(3)24(29)14-15-28(22)23/h6-7,9-11,13,16H,4-5,8,12,14-15H2,1-3H3
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n/an/a 463n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(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 467n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(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 553n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(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 584n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157218
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CCCNC(=O)c1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:23|
Show InChI InChI=1S/C25H26N2O4/c1-3-13-26-24(29)17-4-8-20(9-5-17)31-25(30)19-7-11-22-18(15-19)6-10-21-16(2)23(28)12-14-27(21)22/h4-5,7-9,11,15H,3,6,10,12-14H2,1-2H3,(H,26,29)
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n/an/a 665n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157220
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC(=O)Nc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:21|
Show InChI InChI=1S/C23H22N2O4/c1-14-20-9-3-16-13-17(4-10-21(16)25(20)12-11-22(14)27)23(28)29-19-7-5-18(6-8-19)24-15(2)26/h4-8,10,13H,3,9,11-12H2,1-2H3,(H,24,26)
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n/an/a 707n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157232
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(N)cc1 |c:1|
Show InChI InChI=1S/C21H20N2O3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11,22H2,1H3
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n/an/a 801n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157230
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1cccc(c1)C(F)(F)F |c:1|
Show InChI InChI=1S/C22H18F3NO3/c1-13-18-7-5-14-11-15(6-8-19(14)26(18)10-9-20(13)27)21(28)29-17-4-2-3-16(12-17)22(23,24)25/h2-4,6,8,11-12H,5,7,9-10H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157228
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Nc1ccc(C)cc1 |c:1|
Show InChI InChI=1S/C22H22N2O2/c1-14-3-7-18(8-4-14)23-22(26)17-6-10-20-16(13-17)5-9-19-15(2)21(25)11-12-24(19)20/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3,(H,23,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
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



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157223
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES COc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:19|
Show InChI InChI=1S/C22H21NO4/c1-14-19-9-3-15-13-16(4-10-20(15)23(19)12-11-21(14)24)22(25)27-18-7-5-17(26-2)6-8-18/h4-8,10,13H,3,9,11-12H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157229
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(F)(F)F |c:1|
Show InChI InChI=1S/C22H18F3NO3/c1-13-18-8-2-14-12-15(3-9-19(14)26(18)11-10-20(13)27)21(28)29-17-6-4-16(5-7-17)22(23,24)25/h3-7,9,12H,2,8,10-11H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157234
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(Cl)cc1 |c:1|
Show InChI InChI=1S/C21H18ClNO3/c1-13-18-8-2-14-12-15(3-9-19(14)23(18)11-10-20(13)24)21(25)26-17-6-4-16(22)5-7-17/h3-7,9,12H,2,8,10-11H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(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 2.10E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(Homo sapiens (Human))		BDBM50157231
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CCOc1ccc(OC(=O)c2ccc3N4CCC(=O)C(C)=C4CCc3c2)cc1 |c:20|
Show InChI InChI=1S/C23H23NO4/c1-3-27-18-6-8-19(9-7-18)28-23(26)17-5-11-21-16(14-17)4-10-20-15(2)22(25)12-13-24(20)21/h5-9,11,14H,3-4,10,12-13H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(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 4.80E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Homo sapiens (Human))		BDBM50157227
PNG
(4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]...)
Show SMILES CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)OCCCO |c:1|
Show InChI InChI=1S/C18H21NO4/c1-12-15-5-3-13-11-14(18(22)23-10-2-9-20)4-6-16(13)19(15)8-7-17(12)21/h4,6,11,20H,2-3,5,7-10H2,1H3
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n/an/a 6.99E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase I receptor expressed in CHO 1827 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2


(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 9.50E+3n/an/an/an/an/an/a



Polo Scientifico Università di Firenze

Curated by ChEMBL


Assay Description
Inhibitory concentration against human steroid 5-alpha-reductase 2 receptor expressed in CHO 1829 cells

Bioorg Med Chem Lett 15: 145-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.017
BindingDB Entry DOI: 10.7270/Q2ZK5G4N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%