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18 similar compounds to monomer 50039315

Compile data set for download or QSAR
Wt: 386.5
BDBM50039261
Wt: 400.5
BDBM50039264
Wt: 386.5
BDBM50039271
Wt: 414.5
BDBM50039272
Wt: 397.5
BDBM50039274
Wt: 414.6
BDBM50039279
Wt: 400.5
BDBM50039289
Wt: 456.7
BDBM50039290
Wt: 428.6
BDBM50039300
Wt: 398.5
BDBM50039307
Wt: 414.6
BDBM50039310
Wt: 400.5
BDBM50039319
Wt: 464.6
BDBM50039321
Wt: 386.5
BDBM50340475
Wt: 456.7
BDBM50340477
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50039261,50039264,50039271,50039272,50039274,50039279,50039289,50039290,50039300,50039307,50039310,50039319,50039321,50340475,50340477   
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))
BDBM50039321
PNG
((1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)
Show SMILES CN1CC2C3CC[C@H](C(=O)NC45CC6CC(CC(C6)C4)C5)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C30H44N2O2/c1-28-9-7-24-22(17-32(3)26-13-21(33)6-8-29(24,26)2)23(28)4-5-25(28)27(34)31-30-14-18-10-19(15-30)12-20(11-18)16-30/h13,18-20,22-25H,4-12,14-17H2,1-3H3,(H,31,34)/t18?,19?,20?,22?,23?,24?,25-,28+,29-,30?/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039289
PNG
((1S,9aR,11aS)-5,6,9a,11a-Tetramethyl-7-oxo-2,3,3a,...)
Show SMILES CN1CC2C3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C(C)=C12
Show InChI InChI=1S/C25H40N2O2/c1-15-20(28)11-13-25(6)18-10-12-24(5)17(16(18)14-27(7)21(15)25)8-9-19(24)22(29)26-23(2,3)4/h16-19H,8-14H2,1-7H3,(H,26,29)/t16?,17?,18?,19-,24+,25-/m1/s1
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60n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039319
PNG
((1S,9aR,11aS)-5,6,9a,11a-Tetramethyl-7-oxo-2,3,3a,...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=C(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-7-27(8-2)23(29)20-10-9-18-17-15-26(6)22-16(3)21(28)12-14-25(22,5)19(17)11-13-24(18,20)4/h17-20H,7-15H2,1-6H3/t17?,18?,19?,20-,24+,25-/m1/s1
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82n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039261
PNG
((1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)
Show SMILES CN1CC2C3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C24H38N2O2/c1-22(2,3)25-21(28)19-8-7-17-16-14-26(6)20-13-15(27)9-11-24(20,5)18(16)10-12-23(17,19)4/h13,16-19H,7-12,14H2,1-6H3,(H,25,28)/t16?,17?,18?,19-,23+,24-/m1/s1
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87n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039271
PNG
((1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H38N2O2/c1-6-26(7-2)22(28)20-9-8-18-17-15-25(5)21-14-16(27)10-12-24(21,4)19(17)11-13-23(18,20)3/h14,17-20H,6-13,15H2,1-5H3/t17?,18?,19?,20-,23+,24-/m1/s1
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180n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039264
PNG
((1S,9aR,11aS)-5-Ethyl-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(CC)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-6-26(7-2)23(29)21-10-9-19-18-16-27(8-3)22-15-17(28)11-13-25(22,5)20(18)12-14-24(19,21)4/h15,18-21H,6-14,16H2,1-5H3/t18?,19?,20?,21-,24+,25-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039310
PNG
((1S,9aR,11aS)-5-Isopropyl-9a,11a-dimethyl-7-oxo-2,...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C(C)C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H42N2O2/c1-7-27(8-2)24(30)22-10-9-20-19-16-28(17(3)4)23-15-18(29)11-13-26(23,6)21(19)12-14-25(20,22)5/h15,17,19-22H,7-14,16H2,1-6H3/t19?,20?,21?,22-,25+,26-/m1/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039290
PNG
((1S,9aR,11aS)-5-Hexyl-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCCCCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C29H48N2O2/c1-6-9-10-11-18-31-20-22-23-12-13-25(27(33)30(7-2)8-3)28(23,4)17-15-24(22)29(5)16-14-21(32)19-26(29)31/h19,22-25H,6-18,20H2,1-5H3/t22?,23?,24?,25-,28+,29-/m1/s1
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5.90E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039300
PNG
((1S,9aR,11aS)-5-Butyl-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C27H44N2O2/c1-6-9-16-29-18-20-21-10-11-23(25(31)28(7-2)8-3)26(21,4)15-13-22(20)27(5)14-12-19(30)17-24(27)29/h17,20-23H,6-16,18H2,1-5H3/t20?,21?,22?,23-,26+,27-/m1/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039274
PNG
((1S,9aR,11aS)-5-Cyano-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C#N)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H35N3O2/c1-5-26(6-2)22(29)20-8-7-18-17-14-27(15-25)21-13-16(28)9-11-24(21,4)19(17)10-12-23(18,20)3/h13,17-20H,5-12,14H2,1-4H3/t17?,18?,19?,20-,23+,24-/m1/s1
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8.30E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039307
PNG
((10S,13S,17S)-6,10,13-Trimethyl-3-oxo-1,2,3,6,7,8,...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)C5CC5[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H38N2O2/c1-6-27(7-2)23(29)19-9-8-17-16-14-26(5)22-13-21(28)15-12-20(15)25(22,4)18(16)10-11-24(17,19)3/h13,15-20H,6-12,14H2,1-5H3/t15?,16?,17?,18?,19-,20?,24+,25+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039279
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-5-propyl-2,3,3...)
Show SMILES CCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C26H42N2O2/c1-6-15-28-17-19-20-9-10-22(24(30)27(7-2)8-3)25(20,4)14-12-21(19)26(5)13-11-18(29)16-23(26)28/h16,19-22H,6-15,17H2,1-5H3/t19?,20?,21?,22-,25+,26-/m1/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039272
PNG
((1S,9aR,11aS)-5-Acetyl-9a,11a-dimethyl-7-oxo-2,3,3...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C(C)=O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H38N2O3/c1-6-26(7-2)23(30)21-9-8-19-18-15-27(16(3)28)22-14-17(29)10-12-25(22,5)20(18)11-13-24(19,21)4/h14,18-21H,6-13,15H2,1-5H3/t18?,19?,20?,21-,24+,25-/m1/s1
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4.00E+4n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 1 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039261
PNG
((1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)
Show SMILES CN1CC2C3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C24H38N2O2/c1-22(2,3)25-21(28)19-8-7-17-16-14-26(6)20-13-15(27)9-11-24(20,5)18(16)10-12-23(17,19)4/h13,16-19H,7-12,14H2,1-6H3,(H,25,28)/t16?,17?,18?,19-,23+,24-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039272
PNG
((1S,9aR,11aS)-5-Acetyl-9a,11a-dimethyl-7-oxo-2,3,3...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C(C)=O)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H38N2O3/c1-6-26(7-2)23(30)21-9-8-19-18-15-27(16(3)28)22-14-17(29)10-12-25(22,5)20(18)11-13-24(19,21)4/h14,18-21H,6-13,15H2,1-5H3/t18?,19?,20?,21-,24+,25-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039310
PNG
((1S,9aR,11aS)-5-Isopropyl-9a,11a-dimethyl-7-oxo-2,...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C(C)C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H42N2O2/c1-7-27(8-2)24(30)22-10-9-20-19-16-28(17(3)4)23-15-18(29)11-13-26(23,6)21(19)12-14-25(20,22)5/h15,17,19-22H,7-14,16H2,1-6H3/t19?,20?,21?,22-,25+,26-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039319
PNG
((1S,9aR,11aS)-5,6,9a,11a-Tetramethyl-7-oxo-2,3,3a,...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=C(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-7-27(8-2)23(29)20-10-9-18-17-15-26(6)22-16(3)21(28)12-14-25(22,5)19(17)11-13-24(18,20)4/h17-20H,7-15H2,1-6H3/t17?,18?,19?,20-,24+,25-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039300
PNG
((1S,9aR,11aS)-5-Butyl-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C27H44N2O2/c1-6-9-16-29-18-20-21-10-11-23(25(31)28(7-2)8-3)26(21,4)15-13-22(20)27(5)14-12-19(30)17-24(27)29/h17,20-23H,6-16,18H2,1-5H3/t20?,21?,22?,23-,26+,27-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039264
PNG
((1S,9aR,11aS)-5-Ethyl-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(CC)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-6-26(7-2)23(29)21-10-9-19-18-16-27(8-3)22-15-17(28)11-13-25(22,5)20(18)12-14-24(19,21)4/h15,18-21H,6-14,16H2,1-5H3/t18?,19?,20?,21-,24+,25-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039289
PNG
((1S,9aR,11aS)-5,6,9a,11a-Tetramethyl-7-oxo-2,3,3a,...)
Show SMILES CN1CC2C3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C(C)=C12
Show InChI InChI=1S/C25H40N2O2/c1-15-20(28)11-13-25(6)18-10-12-24(5)17(16(18)14-27(7)21(15)25)8-9-19(24)22(29)26-23(2,3)4/h16-19H,8-14H2,1-7H3,(H,26,29)/t16?,17?,18?,19-,24+,25-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039290
PNG
((1S,9aR,11aS)-5-Hexyl-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCCCCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C29H48N2O2/c1-6-9-10-11-18-31-20-22-23-12-13-25(27(33)30(7-2)8-3)28(23,4)17-15-24(22)29(5)16-14-21(32)19-26(29)31/h19,22-25H,6-18,20H2,1-5H3/t22?,23?,24?,25-,28+,29-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039279
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-5-propyl-2,3,3...)
Show SMILES CCCN1CC2C3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C26H42N2O2/c1-6-15-28-17-19-20-9-10-22(24(30)27(7-2)8-3)25(20,4)14-12-21(19)26(5)13-11-18(29)16-23(26)28/h16,19-22H,6-15,17H2,1-5H3/t19?,20?,21?,22-,25+,26-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039274
PNG
((1S,9aR,11aS)-5-Cyano-9a,11a-dimethyl-7-oxo-2,3,3a...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C#N)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H35N3O2/c1-5-26(6-2)22(29)20-8-7-18-17-14-27(15-25)21-13-16(28)9-11-24(21,4)19(17)10-12-23(18,20)3/h13,17-20H,5-12,14H2,1-4H3/t17?,18?,19?,20-,23+,24-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039271
PNG
((1S,9aR,11aS)-5,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C24H38N2O2/c1-6-26(7-2)22(28)20-9-8-18-17-15-25(5)21-14-16(27)10-12-24(21,4)19(17)11-13-23(18,20)3/h14,17-20H,6-13,15H2,1-5H3/t17?,18?,19?,20-,23+,24-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039307
PNG
((10S,13S,17S)-6,10,13-Trimethyl-3-oxo-1,2,3,6,7,8,...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)C5CC5[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H38N2O2/c1-6-27(7-2)23(29)19-9-8-17-16-14-26(5)22-13-21(28)15-12-20(15)25(22,4)18(16)10-11-24(17,19)3/h13,15-20H,6-12,14H2,1-5H3/t15?,16?,17?,18?,19-,20?,24+,25+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human type 2 5-alpha reductase


J Med Chem 37: 2352-60 (1994)


Article DOI: 10.1021/jm00041a014
BindingDB Entry DOI: 10.7270/Q228088W
More data for this
Ligand-Target Pair
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase


(Mycobacterium tuberculosis)
BDBM50340475
PNG
((1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-5,9a,11a-tri...)
Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H38N2O2/c1-6-26(7-2)22(28)20-9-8-18-17-15-25(5)21-14-16(27)10-12-24(21,4)19(17)11-13-23(18,20)3/h14,17-20H,6-13,15H2,1-5H3/t17-,18-,19-,20+,23-,24+/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase


Bioorg Med Chem Lett 21: 2216-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.004
BindingDB Entry DOI: 10.7270/Q2Z31ZXD
More data for this
Ligand-Target Pair
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase


(Mycobacterium tuberculosis)
BDBM50340477
PNG
((1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-5-hexyl-9a,1...)
Show SMILES CCCCCCN1C[C@H]2[C@@H]3CC[C@H](C(=O)N(CC)CC)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
Show InChI InChI=1S/C29H48N2O2/c1-6-9-10-11-18-31-20-22-23-12-13-25(27(33)30(7-2)8-3)28(23,4)17-15-24(22)29(5)16-14-21(32)19-26(29)31/h19,22-25H,6-18,20H2,1-5H3/t22-,23-,24-,25+,28-,29+/m0/s1
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n/an/a 1.56E+5n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase


Bioorg Med Chem Lett 21: 2216-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.004
BindingDB Entry DOI: 10.7270/Q2Z31ZXD
More data for this
Ligand-Target Pair