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Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'schweiker' and Initial = 'sl'   
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
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50043607
PNG
(1-(Adamantane-2-carbonyl)-9a,11a-dimethyl-1,2,3,3a...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
Show InChI InChI=1S/C29H41NO2/c1-28-8-6-23-21(15-30-25-14-20(31)5-7-29(23,25)2)22(28)3-4-24(28)27(32)26-18-10-16-9-17(12-18)13-19(26)11-16/h16-19,21-24,26H,3-15H2,1-2H3/t16-,17+,18-,19+,21?,22?,23?,24-,26?,28+,29-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039268
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H42N2O2/c1-36-23-21-32-30(25-39-34-24-29(41)20-22-37(32,34)2)31(36)18-19-33(36)35(42)40-38(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-17,30-33H,18-25H2,1-2H3,(H,40,42)/t30?,31?,32?,33-,36+,37-/m1/s1
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8.20n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039257
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(3-methyl-butyryl)...)
Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H35NO2/c1-14(2)11-20(26)19-6-5-17-16-13-24-21-12-15(25)7-9-23(21,4)18(16)8-10-22(17,19)3/h14,16-19H,5-13H2,1-4H3/t16?,17?,18?,19-,22+,23-/m1/s1
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9n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50043608
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C29H42N2O2/c1-27-8-6-23-21(16-30-25-12-20(32)5-7-28(23,25)2)22(27)3-4-24(27)26(33)31-29-13-17-9-18(14-29)11-19(10-17)15-29/h17-19,21-24H,3-16H2,1-2H3,(H,31,33)/t17-,18+,19-,21?,22?,23?,24-,27+,28-,29?/m1/s1
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11n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039295
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37N3O2/c1-30-18-16-26-24(20-32-28-19-23(35)15-17-31(26,28)2)25(30)13-14-27(30)29(36)33-34(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,24-27H,13-20H2,1-2H3,(H,33,36)/t24?,25?,26?,27-,30+,31-/m1/s1
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14n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039294
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C32H36F2N2O2/c1-31-16-14-26-24(18-35-28-17-23(37)13-15-32(26,28)2)25(31)11-12-27(31)30(38)36-29(19-3-7-21(33)8-4-19)20-5-9-22(34)10-6-20/h3-10,24-27,29H,11-18H2,1-2H3,(H,36,38)/t24?,25?,26?,27-,31+,32-/m1/s1
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20n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039302
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C32H50N2O2/c1-31-18-16-26-24(20-33-28-19-23(35)15-17-32(26,28)2)25(31)13-14-27(31)30(36)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h21-22,24-27,29H,3-20H2,1-2H3,(H,34,36)/t24?,25?,26?,27-,31+,32-/m1/s1
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20n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039259
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H36Cl2N2O2/c1-31-16-14-26-24(18-35-28-17-23(37)13-15-32(26,28)2)25(31)11-12-27(31)30(38)36-29(19-3-7-21(33)8-4-19)20-5-9-22(34)10-6-20/h3-10,24-27,29H,11-18H2,1-2H3,(H,36,38)/t24?,25?,26?,27-,31+,32-/m1/s1
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20n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039298
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H38N2O2/c1-31-18-16-26-24(20-33-28-19-23(35)15-17-32(26,28)2)25(31)13-14-27(31)30(36)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,24-27,29H,13-20H2,1-2H3,(H,34,36)/t24?,25?,26?,27-,31+,32-/m1/s1
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30n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50043605
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C33H40N2O2/c1-32-18-16-28-26(20-34-30-19-25(36)15-17-33(28,30)2)27(32)13-14-29(32)31(37)35(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-12,26-29H,13-22H2,1-2H3/t26?,27?,28?,29-,32+,33-/m1/s1
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75n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039266
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES COC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C20H29NO3/c1-19-9-7-15-13(14(19)4-5-16(19)18(23)24-3)11-21-17-10-12(22)6-8-20(15,17)2/h13-16H,4-11H2,1-3H3/t13?,14?,15?,16-,19+,20-/m1/s1
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150n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50043612
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-15(2)27(16(3)4)23(29)21-8-7-19-18-14-26-22-13-17(28)9-11-25(22,6)20(18)10-12-24(19,21)5/h15-16,18-21H,7-14H2,1-6H3/t18?,19?,20?,21-,24+,25-/m1/s1
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190n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50043611
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H34N2O2/c1-25-13-11-21-19(16-27-23-14-18(29)10-12-26(21,23)2)20(25)8-9-22(25)24(30)28-15-17-6-4-3-5-7-17/h3-7,19-22H,8-16H2,1-2H3,(H,28,30)/t19?,20?,21?,22-,25+,26-/m1/s1
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360n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039284
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(thiomorpholine-4-...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCSCC1
Show InChI InChI=1S/C23H34N2O2S/c1-22-8-6-18-16(14-24-20-13-15(26)5-7-23(18,20)2)17(22)3-4-19(22)21(27)25-9-11-28-12-10-25/h16-19H,3-14H2,1-2H3/t16?,17?,18?,19-,22+,23-/m1/s1
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570n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50043606
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES CCN(C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H34N2O2/c1-5-24(4)20(26)18-7-6-16-15-13-23-19-12-14(25)8-10-22(19,3)17(15)9-11-21(16,18)2/h15-18H,5-13H2,1-4H3/t15?,16?,17?,18-,21+,22-/m1/s1
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720n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039308
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H36N2O2/c1-5-25(6-2)21(27)19-8-7-17-16-14-24-20-13-15(26)9-11-23(20,4)18(16)10-12-22(17,19)3/h16-19H,5-14H2,1-4H3/t16?,17?,18?,19-,22+,23-/m1/s1
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750n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039285
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)18-7-6-16-15-13-24-19-12-14(26)8-10-23(19,5)17(15)9-11-22(16,18)4/h15-18H,6-13H2,1-5H3,(H,25,27)/t15?,16?,17?,18-,22+,23-/m1/s1
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820n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039293
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(morpholine-4-carb...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCOCC1
Show InChI InChI=1S/C23H34N2O3/c1-22-8-6-18-16(14-24-20-13-15(26)5-7-23(18,20)2)17(22)3-4-19(22)21(27)25-9-11-28-12-10-25/h16-19H,3-14H2,1-2H3/t16?,17?,18?,19-,22+,23-/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039287
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CON(C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H32N2O3/c1-20-10-8-16-14(12-22-18-11-13(24)7-9-21(16,18)2)15(20)5-6-17(20)19(25)23(3)26-4/h14-17H,5-12H2,1-4H3/t14?,15?,16?,17-,20+,21-/m1/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50043604
PNG
((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50043610
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES CC(C)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H34N2O2/c1-13(2)24-20(26)18-6-5-16-15-12-23-19-11-14(25)7-9-22(19,4)17(15)8-10-21(16,18)3/h13,15-18H,5-12H2,1-4H3,(H,24,26)/t15?,16?,17?,18-,21+,22-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50039260
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(piperazine-1-carb...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCNCC1
Show InChI InChI=1S/C23H35N3O2/c1-22-8-6-18-16(14-25-20-13-15(27)5-7-23(18,20)2)17(22)3-4-19(22)21(28)26-11-9-24-10-12-26/h16-19,24H,3-14H2,1-2H3/t16?,17?,18?,19-,22+,23-/m1/s1
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8.60E+3n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50043607
PNG
(1-(Adamantane-2-carbonyl)-9a,11a-dimethyl-1,2,3,3a...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
Show InChI InChI=1S/C29H41NO2/c1-28-8-6-23-21(15-30-25-14-20(31)5-7-29(23,25)2)22(28)3-4-24(28)27(32)26-18-10-16-9-17(12-18)13-19(26)11-16/h16-19,21-24,26H,3-15H2,1-2H3/t16-,17+,18-,19+,21?,22?,23?,24-,26?,28+,29-/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50043608
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C29H42N2O2/c1-27-8-6-23-21(16-30-25-12-20(32)5-7-28(23,25)2)22(27)3-4-24(27)26(33)31-29-13-17-9-18(14-29)11-19(10-17)15-29/h17-19,21-24H,3-16H2,1-2H3,(H,31,33)/t17-,18+,19-,21?,22?,23?,24-,27+,28-,29?/m1/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039257
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(3-methyl-butyryl)...)
Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H35NO2/c1-14(2)11-20(26)19-6-5-17-16-13-24-21-12-15(25)7-9-23(21,4)18(16)8-10-22(17,19)3/h14,16-19H,5-13H2,1-4H3/t16?,17?,18?,19-,22+,23-/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039298
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H38N2O2/c1-31-18-16-26-24(20-33-28-19-23(35)15-17-32(26,28)2)25(31)13-14-27(31)30(36)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,24-27,29H,13-20H2,1-2H3,(H,34,36)/t24?,25?,26?,27-,31+,32-/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039268
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H42N2O2/c1-36-23-21-32-30(25-39-34-24-29(41)20-22-37(32,34)2)31(36)18-19-33(36)35(42)40-38(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-17,30-33H,18-25H2,1-2H3,(H,40,42)/t30?,31?,32?,33-,36+,37-/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039259
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H36Cl2N2O2/c1-31-16-14-26-24(18-35-28-17-23(37)13-15-32(26,28)2)25(31)11-12-27(31)30(38)36-29(19-3-7-21(33)8-4-19)20-5-9-22(34)10-6-20/h3-10,24-27,29H,11-18H2,1-2H3,(H,36,38)/t24?,25?,26?,27-,31+,32-/m1/s1
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n/an/a 0.120n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50043605
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C33H40N2O2/c1-32-18-16-28-26(20-34-30-19-25(36)15-17-33(28,30)2)27(32)13-14-29(32)31(37)35(21-23-9-5-3-6-10-23)22-24-11-7-4-8-12-24/h3-12,26-29H,13-22H2,1-2H3/t26?,27?,28?,29-,32+,33-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039294
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C32H36F2N2O2/c1-31-16-14-26-24(18-35-28-17-23(37)13-15-32(26,28)2)25(31)11-12-27(31)30(38)36-29(19-3-7-21(33)8-4-19)20-5-9-22(34)10-6-20/h3-10,24-27,29H,11-18H2,1-2H3,(H,36,38)/t24?,25?,26?,27-,31+,32-/m1/s1
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n/an/a 0.160n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50025356
PNG
(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)
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n/an/a 0.180n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039295
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NN(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H37N3O2/c1-30-18-16-26-24(20-32-28-19-23(35)15-17-31(26,28)2)25(30)13-14-27(30)29(36)33-34(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,24-27H,13-20H2,1-2H3,(H,33,36)/t24?,25?,26?,27-,30+,31-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50043612
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-15(2)27(16(3)4)23(29)21-8-7-19-18-14-26-22-13-17(28)9-11-25(22,6)20(18)10-12-24(19,21)5/h15-16,18-21H,7-14H2,1-6H3/t18?,19?,20?,21-,24+,25-/m1/s1
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n/an/a 0.360n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039302
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC(C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C32H50N2O2/c1-31-18-16-26-24(20-33-28-19-23(35)15-17-32(26,28)2)25(31)13-14-27(31)30(36)34-29(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h21-22,24-27,29H,3-20H2,1-2H3,(H,34,36)/t24?,25?,26?,27-,31+,32-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50043611
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H34N2O2/c1-25-13-11-21-19(16-27-23-14-18(29)10-12-26(21,23)2)20(25)8-9-22(25)24(30)28-15-17-6-4-3-5-7-17/h3-7,19-22H,8-16H2,1-2H3,(H,28,30)/t19?,20?,21?,22-,25+,26-/m1/s1
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n/an/a 0.580n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039285
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)18-7-6-16-15-13-24-19-12-14(26)8-10-23(19,5)17(15)9-11-22(16,18)4/h15-18H,6-13H2,1-5H3,(H,25,27)/t15?,16?,17?,18-,22+,23-/m1/s1
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n/an/a 0.880n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039284
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-1-(thiomorpholine-4-...)
Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N1CCSCC1
Show InChI InChI=1S/C23H34N2O2S/c1-22-8-6-18-16(14-24-20-13-15(26)5-7-23(18,20)2)17(22)3-4-19(22)21(27)25-9-11-28-12-10-25/h16-19H,3-14H2,1-2H3/t16?,17?,18?,19-,22+,23-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039308
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CCN(CC)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H36N2O2/c1-5-25(6-2)21(27)19-8-7-17-16-14-24-20-13-15(26)9-11-23(20,4)18(16)10-12-22(17,19)3/h16-19H,5-14H2,1-4H3/t16?,17?,18?,19-,22+,23-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50219326
PNG
(PYRAZOLOPYRIMIDINE 1)
Show SMILES CN(C)CCNC(=O)c1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1
Show InChI InChI=1S/C24H24N10O/c1-33(2)11-10-25-24(35)17-8-6-16(7-9-17)12-30-32-22-18-13-31-34(23(18)29-15-28-22)20-5-3-4-19-21(20)27-14-26-19/h3-9,12-15H,10-11H2,1-2H3,(H,25,35)(H,26,27)(H,28,29,32)/b30-12+
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
BindingDB Entry DOI: 10.7270/Q2Q242DJ
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039287
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CON(C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H32N2O3/c1-20-10-8-16-14(12-22-18-11-13(24)7-9-21(16,18)2)15(20)5-6-17(20)19(25)23(3)26-4/h14-17H,5-12H2,1-4H3/t14?,15?,16?,17-,20+,21-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50219327
PNG
(GW811168X | PYRAZOLOPYRIMIDINE 2)
Show SMILES COc1cccc(c1)-n1ncc2c(N\N=C\c3ccc(cc3)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C20H18N6O3S/c1-29-16-5-3-4-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-6-8-17(9-7-14)30(2,27)28/h3-13H,1-2H3,(H,21,22,25)/b23-11+
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n/an/a 2.5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
BindingDB Entry DOI: 10.7270/Q2Q242DJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8688
PNG
((1E)-1-[(4-methanesulfonylphenyl)methylidene]-2-[1...)
Show SMILES COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C20H18N6O3S/c1-29-16-5-3-4-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-6-8-17(9-7-14)30(2,27)28/h3-10,12-13H,11H2,1-2H3
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...


Bioorg Med Chem Lett 14: 2121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.036
BindingDB Entry DOI: 10.7270/Q2NV9GF5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8686
PNG
(4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES COc1cccc(c1)-n1ncc2c(N=NCc3ccc(N)cc3)ncnc12
Show InChI InChI=1S/C19H17N7O/c1-27-16-4-2-3-15(9-16)26-19-17(11-24-26)18(21-12-22-19)25-23-10-13-5-7-14(20)8-6-13/h2-9,11-12H,10,20H2,1H3
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n/an/a 2.51n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...


Bioorg Med Chem Lett 14: 2121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.036
BindingDB Entry DOI: 10.7270/Q2NV9GF5
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50043606
PNG
(9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...)
Show SMILES CCN(C)C(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C22H34N2O2/c1-5-24(4)20(26)18-7-6-16-15-13-23-19-12-14(25)8-10-22(19,3)17(15)9-11-21(16,18)2/h15-18H,5-13H2,1-4H3/t15?,16?,17?,18-,21+,22-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8674
PNG
(4-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-y...)
Show SMILES C(N=Nc1ncnc2n(ncc12)-c1ccncc1)c1ccncc1
Show InChI InChI=1S/C16H12N8/c1-5-17-6-2-12(1)9-21-23-15-14-10-22-24(16(14)20-11-19-15)13-3-7-18-8-4-13/h1-8,10-11H,9H2
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n/an/a 3.16n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...


Bioorg Med Chem Lett 14: 2121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.036
BindingDB Entry DOI: 10.7270/Q2NV9GF5
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50039266
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES COC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C20H29NO3/c1-19-9-7-15-13(14(19)4-5-16(19)18(23)24-3)11-21-17-10-12(22)6-8-20(15,17)2/h13-16H,4-11H2,1-3H3/t13?,14?,15?,16-,19+,20-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes


J Med Chem 36: 4313-5 (1994)


Article DOI: 10.1021/jm00078a022
BindingDB Entry DOI: 10.7270/Q2PK0F76
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8687
PNG
((1E)-1-[(3-methanesulfonylphenyl)methylidene]-2-[1...)
Show SMILES COc1cccc(c1)-n1ncc2c(N=NCc3cccc(c3)S(C)(=O)=O)ncnc12
Show InChI InChI=1S/C20H18N6O3S/c1-29-16-7-4-6-15(10-16)26-20-18(12-24-26)19(21-13-22-20)25-23-11-14-5-3-8-17(9-14)30(2,27)28/h3-10,12-13H,11H2,1-2H3
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...


Bioorg Med Chem Lett 14: 2121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.036
BindingDB Entry DOI: 10.7270/Q2NV9GF5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8695
PNG
(ethyl({4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo...)
Show SMILES CCNCc1ccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)cc1
Show InChI InChI=1S/C22H23N7O/c1-3-23-12-16-7-9-17(10-8-16)13-26-28-21-20-14-27-29(22(20)25-15-24-21)18-5-4-6-19(11-18)30-2/h4-11,14-15,23H,3,12-13H2,1-2H3
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n/an/a 3.98n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-33P] ATP. Af...


Bioorg Med Chem Lett 14: 2121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.036
BindingDB Entry DOI: 10.7270/Q2NV9GF5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50219340
PNG
(CHEMBL65944)
Show SMILES N(\N=C\c1ccncc1)c1ncnc2n(ncc12)-c1cccc2[nH]cnc12
Show InChI InChI=1S/C18H13N9/c1-2-14-16(21-10-20-14)15(3-1)27-18-13(9-25-27)17(22-11-23-18)26-24-8-12-4-6-19-7-5-12/h1-11H,(H,20,21)(H,22,23,26)/b24-8+
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
BindingDB Entry DOI: 10.7270/Q2Q242DJ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50219001
PNG
(CHEMBL69687)
Show SMILES CS(=O)(=O)c1ccc(\C=N\Nc2ncnc3n(ncc23)-c2cccc3[nH]cnc23)cc1
Show InChI InChI=1S/C20H16N8O2S/c1-31(29,30)14-7-5-13(6-8-14)9-25-27-19-15-10-26-28(20(15)24-12-23-19)17-4-2-3-16-18(17)22-11-21-16/h2-12H,1H3,(H,21,22)(H,23,24,27)/b25-9+
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of glycogen synthase kinase-3 (GSK3-beta)


Bioorg Med Chem Lett 14: 2127-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.037
BindingDB Entry DOI: 10.7270/Q2Q242DJ
More data for this
Ligand-Target Pair
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