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Compile Data Set for Download or QSAR

Found 93 hits from CHUL Research Center   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034137
PNG
(CHEMBL275153 | N-Pentyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-16-27(17-28)22-11-9-19-18-8-10-21-24(2,15-13-23(29)26(21)4)20(18)12-14-25(19,22)3/h17-22H,5-16H2,1-4H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 0.910n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034151
PNG
(CHEMBL280015 | Pentanoic acid pentyl-((4aR,6aS,7S,...)
Show SMILES CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCCC
Show InChI InChI=1S/C29H50N2O2/c1-6-8-10-20-31(27(33)11-9-7-2)25-15-13-22-21-12-14-24-28(3,19-17-26(32)30(24)5)23(21)16-18-29(22,25)4/h21-25H,6-20H2,1-5H3/t21?,22?,23?,24-,25+,28-,29+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034161
PNG
(CHEMBL17245 | N-(4-Methoxy-phenyl)-N-((4aR,6aS,7S,...)
Show SMILES COc1ccc(cc1)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)c1ccccc1
Show InChI InChI=1S/C33H42N2O3/c1-32-21-19-30(36)34(3)28(32)16-14-25-26-15-17-29(33(26,2)20-18-27(25)32)35(23-10-12-24(38-4)13-11-23)31(37)22-8-6-5-7-9-22/h5-13,25-29H,14-21H2,1-4H3/t25?,26?,27?,28-,29+,32-,33+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034134
PNG
(CHEMBL17222 | N-(3-Methyl-butyl)-N-((4aR,6aS,7S,11...)
Show SMILES CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-17(2)12-15-27(16-28)22-9-7-19-18-6-8-21-24(3,14-11-23(29)26(21)5)20(18)10-13-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034135
PNG
(5-Bromo-pentanoic acid pentyl-((4aR,6aS,7S,11aR)-1...)
Show SMILES CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCCCBr
Show InChI InChI=1S/C29H49BrN2O2/c1-5-6-9-20-32(27(34)10-7-8-19-30)25-14-12-22-21-11-13-24-28(2,18-16-26(33)31(24)4)23(21)15-17-29(22,25)3/h21-25H,5-20H2,1-4H3/t21?,22?,23?,24-,25+,28-,29+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034142
PNG
(CHEMBL16863 | N-(3,3-Dimethyl-butyl)-N-((4aR,6aS,7...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C26H44N2O2/c1-24(2,3)15-16-28(17-29)22-10-8-19-18-7-9-21-25(4,14-12-23(30)27(21)6)20(18)11-13-26(19,22)5/h17-22H,7-16H2,1-6H3/t18?,19?,20?,21-,22+,25-,26+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034157
PNG
(CHEMBL276320 | N-Phenyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(C(=O)c5ccccc5)c5ccccc5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C32H40N2O2/c1-31-21-19-29(35)33(3)27(31)16-14-24-25-15-17-28(32(25,2)20-18-26(24)31)34(23-12-8-5-9-13-23)30(36)22-10-6-4-7-11-22/h4-13,24-28H,14-21H2,1-3H3/t24?,25?,26?,27-,28+,31-,32+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034143
PNG
(CHEMBL277053 | N-Butyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-5-6-15-26(16-27)21-10-8-18-17-7-9-20-23(2,14-12-22(28)25(20)4)19(17)11-13-24(18,21)3/h16-21H,5-15H2,1-4H3/t17?,18?,19?,20-,21+,23-,24+/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034141
PNG
(CHEMBL16784 | N-Pentyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)c1ccccc1
Show InChI InChI=1S/C31H46N2O2/c1-5-6-10-21-33(29(35)22-11-8-7-9-12-22)27-16-14-24-23-13-15-26-30(2,20-18-28(34)32(26)4)25(23)17-19-31(24,27)3/h7-9,11-12,23-27H,5-6,10,13-21H2,1-4H3/t23?,24?,25?,26-,27+,30-,31+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034159
PNG
(CHEMBL278490 | N-Pentyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CCC
Show InChI InChI=1S/C28H48N2O2/c1-6-8-9-19-30(26(32)10-7-2)24-14-12-21-20-11-13-23-27(3,18-16-25(31)29(23)5)22(20)15-17-28(21,24)4/h20-24H,6-19H2,1-5H3/t20?,21?,22?,23-,24+,27-,28+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034157
PNG
(CHEMBL276320 | N-Phenyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(C(=O)c5ccccc5)c5ccccc5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C32H40N2O2/c1-31-21-19-29(35)33(3)27(31)16-14-24-25-15-17-28(32(25,2)20-18-26(24)31)34(23-12-8-5-9-13-23)30(36)22-10-6-4-7-11-22/h4-13,24-28H,14-21H2,1-3H3/t24?,25?,26?,27-,28+,31-,32+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034147
PNG
((4aR,6aS,7S,11aR)-1,4a,6a-Trimethyl-2-oxo-hexadeca...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16?,17?,18?,19-,20-,23+,24-/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
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
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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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034130
PNG
(CHEMBL17194 | N-Pentyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CC
Show InChI InChI=1S/C27H46N2O2/c1-6-8-9-18-29(24(30)7-2)23-13-11-20-19-10-12-22-26(3,17-15-25(31)28(22)5)21(19)14-16-27(20,23)4/h19-23H,6-18H2,1-5H3/t19?,20?,21?,22-,23+,26-,27+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034132
PNG
(CHEMBL274276 | N-Propyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/c1-5-14-25(15-26)20-9-7-17-16-6-8-19-22(2,13-11-21(27)24(19)4)18(16)10-12-23(17,20)3/h15-20H,5-14H2,1-4H3/t16?,17?,18?,19-,20+,22-,23+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034150
PNG
(CHEMBL16700 | N-(4-Methoxy-phenyl)-N-((4aR,6aS,7S,...)
Show SMILES COc1ccc(cc1)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)C(C)C
Show InChI InChI=1S/C30H44N2O3/c1-19(2)28(34)32(20-7-9-21(35-6)10-8-20)26-14-12-23-22-11-13-25-29(3,18-16-27(33)31(25)5)24(22)15-17-30(23,26)4/h7-10,19,22-26H,11-18H2,1-6H3/t22?,23?,24?,25-,26+,29-,30+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034140
PNG
(CHEMBL276527 | N-Benzyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(Cc5ccccc5)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C27H38N2O2/c1-26-16-14-25(31)28(3)23(26)11-9-20-21-10-12-24(27(21,2)15-13-22(20)26)29(18-30)17-19-7-5-4-6-8-19/h4-8,18,20-24H,9-17H2,1-3H3/t20?,21?,22?,23-,24+,26-,27+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034139
PNG
(CHEMBL16690 | N-Isobutyl-N-((4aR,6aS,7S,11aR)-1,4a...)
Show SMILES CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-16(2)14-26(15-27)21-9-7-18-17-6-8-20-23(3,13-11-22(28)25(20)5)19(17)10-12-24(18,21)4/h15-21H,6-14H2,1-5H3/t17?,18?,19?,20-,21+,23-,24+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034154
PNG
(CHEMBL17506 | N-Hexyl-N-((4aR,6aS,7S,11aR)-1,4a,6a...)
Show SMILES CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H44N2O2/c1-5-6-7-8-17-28(18-29)23-12-10-20-19-9-11-22-25(2,16-14-24(30)27(22)4)21(19)13-15-26(20,23)3/h18-23H,5-17H2,1-4H3/t19?,20?,21?,22-,23+,25-,26+/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034147
PNG
((4aR,6aS,7S,11aR)-1,4a,6a-Trimethyl-2-oxo-hexadeca...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16?,17?,18?,19-,20-,23+,24-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
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
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 8.5n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human Steroid 5-alpha-reductase type 2 in transfected SW-13 cells using [3H]- delta4-Androstenedione as substrate


J Med Chem 38: 1456-61 (1995)


Article DOI: 10.1021/jm00009a006
BindingDB Entry DOI: 10.7270/Q2W096K6
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034153
PNG
(CHEMBL17268 | N-Isopropyl-N-((4aR,6aS,7S,11aR)-1,4...)
Show SMILES CC(C)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/c1-15(2)25(14-26)20-9-7-17-16-6-8-19-22(3,13-11-21(27)24(19)5)18(16)10-12-23(17,20)4/h14-20H,6-13H2,1-5H3/t16?,17?,18?,19-,20+,22-,23+/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034133
PNG
(CHEMBL17206 | N-Heptyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H46N2O2/c1-5-6-7-8-9-18-29(19-30)24-13-11-21-20-10-12-23-26(2,17-15-25(31)28(23)4)22(20)14-16-27(21,24)3/h19-24H,5-18H2,1-4H3/t20?,21?,22?,23-,24+,26-,27+/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034162
PNG
(CHEMBL266519 | N-Phenyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccccc1
Show InChI InChI=1S/C29H42N2O2/c1-19(2)27(33)31(20-9-7-6-8-10-20)25-14-12-22-21-11-13-24-28(3,18-16-26(32)30(24)5)23(21)15-17-29(22,25)4/h6-10,19,21-25H,11-18H2,1-5H3/t21?,22?,23?,24-,25+,28-,29+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034145
PNG
(CHEMBL276355 | N-Cyclopropyl-N-((4aR,6aS,7S,11aR)-...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(C=O)C5CC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H36N2O2/c1-22-13-11-21(27)24(3)19(22)8-6-16-17-7-9-20(25(14-26)15-4-5-15)23(17,2)12-10-18(16)22/h14-20H,4-13H2,1-3H3/t16?,17?,18?,19-,20+,22-,23+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034144
PNG
(CHEMBL16533 | N-(1-Ethyl-propyl)-N-((4aR,6aS,7S,11...)
Show SMILES CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-6-17(7-2)27(16-28)22-11-9-19-18-8-10-21-24(3,15-13-23(29)26(21)5)20(18)12-14-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034155
PNG
(CHEMBL17514 | N-Butyl-N-((4aR,6aS,7S,11aR)-1,4a,6a...)
Show SMILES CCCCN([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
Show InChI InChI=1S/C25H42N2O2/c1-6-7-16-27(17(2)28)22-11-9-19-18-8-10-21-24(3,15-13-23(29)26(21)5)20(18)12-14-25(19,22)4/h18-22H,6-16H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034138
PNG
(CHEMBL16927 | N-Cyclohexyl-N-((4aR,6aS,7S,11aR)-1,...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(C=O)C5CCCCC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C26H42N2O2/c1-25-16-14-24(30)27(3)22(25)11-9-19-20-10-12-23(26(20,2)15-13-21(19)25)28(17-29)18-7-5-4-6-8-18/h17-23H,4-16H2,1-3H3/t19?,20?,21?,22-,23+,25-,26+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034133
PNG
(CHEMBL17206 | N-Heptyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H46N2O2/c1-5-6-7-8-9-18-29(19-30)24-13-11-21-20-10-12-23-26(2,17-15-25(31)28(23)4)22(20)14-16-27(21,24)3/h19-24H,5-18H2,1-4H3/t20?,21?,22?,23-,24+,26-,27+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034146
PNG
(CHEMBL417627 | N-Octyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C28H48N2O2/c1-5-6-7-8-9-10-19-30(20-31)25-14-12-22-21-11-13-24-27(2,18-16-26(32)29(24)4)23(21)15-17-28(22,25)3/h20-25H,5-19H2,1-4H3/t21?,22?,23?,24-,25+,27-,28+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034146
PNG
(CHEMBL417627 | N-Octyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C28H48N2O2/c1-5-6-7-8-9-10-19-30(20-31)25-14-12-22-21-11-13-24-27(2,18-16-26(32)29(24)4)23(21)15-17-28(22,25)3/h20-25H,5-19H2,1-4H3/t21?,22?,23?,24-,25+,27-,28+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
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
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 26n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034163
PNG
(CHEMBL17193 | N-Methyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34N2O2/c1-20-11-9-16-14(15(20)6-8-17(20)22(3)13-24)5-7-18-21(16,2)12-10-19(25)23(18)4/h13-18H,5-12H2,1-4H3/t14?,15?,16?,17-,18+,20-,21+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034148
PNG
(CHEMBL17473 | N-(4-Nitro-phenyl)-N-((4aR,6aS,7S,11...)
Show SMILES CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H41N3O4/c1-18(2)27(34)31(19-6-8-20(9-7-19)32(35)36)25-13-11-22-21-10-12-24-28(3,17-15-26(33)30(24)5)23(21)14-16-29(22,25)4/h6-9,18,21-25H,10-17H2,1-5H3/t21?,22?,23?,24-,25+,28-,29+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034134
PNG
(CHEMBL17222 | N-(3-Methyl-butyl)-N-((4aR,6aS,7S,11...)
Show SMILES CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-17(2)12-15-27(16-28)22-9-7-19-18-6-8-21-24(3,14-11-23(29)26(21)5)20(18)10-13-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 46n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034146
PNG
(CHEMBL417627 | N-Octyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C28H48N2O2/c1-5-6-7-8-9-10-19-30(20-31)25-14-12-22-21-11-13-24-27(2,18-16-26(32)29(24)4)23(21)15-17-28(22,25)3/h20-25H,5-19H2,1-4H3/t21?,22?,23?,24-,25+,27-,28+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM35909
PNG
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)
Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
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n/an/a 52n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Mus musculus)
BDBM50034133
PNG
(CHEMBL17206 | N-Heptyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H46N2O2/c1-5-6-7-8-9-18-29(19-30)24-13-11-21-20-10-12-23-26(2,17-15-25(31)28(23)4)22(20)14-16-27(21,24)3/h19-24H,5-18H2,1-4H3/t20?,21?,22?,23-,24+,26-,27+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034149
PNG
(CHEMBL17422 | N-(4-Nitro-3-trifluoromethyl-phenyl)...)
Show SMILES CC(C)C(=O)N([C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C30H40F3N3O4/c1-17(2)27(38)35(18-6-9-23(36(39)40)22(16-18)30(31,32)33)25-11-8-20-19-7-10-24-28(3,15-13-26(37)34(24)5)21(19)12-14-29(20,25)4/h6,9,16-17,19-21,24-25H,7-8,10-15H2,1-5H3/t19?,20?,21?,24-,25+,28-,29+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM91713
PNG
(Androst-4-en-3,17-dione, 2 | Androst-4-ene-3,17-di...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human Steroid 5-alpha-reductase type 2 in transfected SW-13 cells using [3H]- delta4-Androstenedione as substrate


J Med Chem 38: 1456-61 (1995)


Article DOI: 10.1021/jm00009a006
BindingDB Entry DOI: 10.7270/Q2W096K6
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034154
PNG
(CHEMBL17506 | N-Hexyl-N-((4aR,6aS,7S,11aR)-1,4a,6a...)
Show SMILES CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H44N2O2/c1-5-6-7-8-17-28(18-29)23-12-10-20-19-9-11-22-25(2,16-14-24(30)27(22)4)21(19)13-15-26(20,23)3/h18-23H,5-17H2,1-4H3/t19?,20?,21?,22-,23+,25-,26+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034144
PNG
(CHEMBL16533 | N-(1-Ethyl-propyl)-N-((4aR,6aS,7S,11...)
Show SMILES CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-6-17(7-2)27(16-28)22-11-9-19-18-8-10-21-24(3,15-13-23(29)26(21)5)20(18)12-14-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50034137
PNG
(CHEMBL275153 | N-Pentyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-5-6-7-16-27(17-28)22-11-9-19-18-8-10-21-24(2,15-13-23(29)26(21)4)20(18)12-14-25(19,22)3/h17-22H,5-16H2,1-4H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of DHT (dihydrotestosterone) on proliferation of androgen-sensitive cancer Schionogi (SC-3) cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034132
PNG
(CHEMBL274276 | N-Propyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/c1-5-14-25(15-26)20-9-7-17-16-6-8-19-22(2,13-11-21(27)24(19)4)18(16)10-12-23(17,20)3/h15-20H,5-14H2,1-4H3/t16?,17?,18?,19-,20+,22-,23+/m1/s1
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n/an/a>100n/an/an/an/an/an/a



CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50034131
PNG
(CHEMBL17025 | N-Methyl-N-((4aR,6aS,7S,11aR)-1,4a,6...)
Show SMILES CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)C=C[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H32N2O2/c1-20-11-9-16-14(15(20)6-8-17(20)22(3)13-24)5-7-18-21(16,2)12-10-19(25)23(18)4/h10,12-18H,5-9,11H2,1-4H3/t14?,15?,16?,17-,18+,20-,21+/m0/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type I in Du-145 cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034144
PNG
(CHEMBL16533 | N-(1-Ethyl-propyl)-N-((4aR,6aS,7S,11...)
Show SMILES CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-6-17(7-2)27(16-28)22-11-9-19-18-8-10-21-24(3,15-13-23(29)26(21)5)20(18)12-14-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034139
PNG
(CHEMBL16690 | N-Isobutyl-N-((4aR,6aS,7S,11aR)-1,4a...)
Show SMILES CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H40N2O2/c1-16(2)14-26(15-27)21-9-7-18-17-6-8-20-23(3,13-11-22(28)25(20)5)19(17)10-12-24(18,21)4/h15-21H,6-14H2,1-5H3/t17?,18?,19?,20-,21+,23-,24+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034154
PNG
(CHEMBL17506 | N-Hexyl-N-((4aR,6aS,7S,11aR)-1,4a,6a...)
Show SMILES CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H44N2O2/c1-5-6-7-8-17-28(18-29)23-12-10-20-19-9-11-22-25(2,16-14-24(30)27(22)4)21(19)13-15-26(20,23)3/h18-23H,5-17H2,1-4H3/t19?,20?,21?,22-,23+,25-,26+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034140
PNG
(CHEMBL276527 | N-Benzyl-N-((4aR,6aS,7S,11aR)-1,4a,...)
Show SMILES CN1[C@@H]2CCC3C4CC[C@H](N(Cc5ccccc5)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C27H38N2O2/c1-26-16-14-25(31)28(3)23(26)11-9-20-21-10-12-24(27(21,2)15-13-22(20)26)29(18-30)17-19-7-5-4-6-8-19/h4-8,18,20-24H,9-17H2,1-3H3/t20?,21?,22?,23-,24+,26-,27+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50034134
PNG
(CHEMBL17222 | N-(3-Methyl-butyl)-N-((4aR,6aS,7S,11...)
Show SMILES CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-17(2)12-15-27(16-28)22-9-7-19-18-6-8-21-24(3,14-11-23(29)26(21)5)20(18)10-13-25(19,22)4/h16-22H,6-15H2,1-5H3/t18?,19?,20?,21-,22+,24-,25+/m1/s1
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CHUL Research Center

Curated by ChEMBL


Assay Description
In vitro inhibition of human steroid 5-alpha-reductase type 2 in SW-13-transfected cells


J Med Chem 38: 1158-73 (1995)


Article DOI: 10.1021/jm00007a013
BindingDB Entry DOI: 10.7270/Q2NG4R90
More data for this
Ligand-Target Pair
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