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4 similar compounds to monomer 50409039

Compile data set for download or QSAR
Wt: 329.5
BDBM50094191
Wt: 315.4
BDBM50409041
Wt: 313.4
BDBM50409046
Wt: 315.4
BDBM50409048

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50094191,50409041,50409046,50409048   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50094191
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3
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6n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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8n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094191
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3
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9n/an/an/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Binding affinity for Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM50094191
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of P450 scc


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of P450 scc


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409046
PNG
(CHEMBL2112782)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2[C@@H]1CN1
Show InChI InChI=1S/C21H31NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,5,14-15,17-19,22-23H,4,6-12H2,1-2H3/t14-,15-,17-,18+,19-,20-,21-/m0/s1
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n/an/a 9.67E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase type 2 isozyme


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409048
PNG
(CHEMBL2112772)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
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n/an/a 1.52E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50409046
PNG
(CHEMBL2112782)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2[C@@H]1CN1
Show InChI InChI=1S/C21H31NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,5,14-15,17-19,22-23H,4,6-12H2,1-2H3/t14-,15-,17-,18+,19-,20-,21-/m0/s1
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n/an/a 970n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50409048
PNG
(CHEMBL2112772)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50094191
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50094191
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of thromboxane synthase P450 TXA2


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM50409041
PNG
(CHEMBL2111947)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@H]1CN1
Show InChI InChI=1S/C21H33NO/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19-12-22-19)21(16,2)10-8-17(15)20/h3,14-19,22-23H,4-12H2,1-2H3/t14-,15-,16-,17-,18+,19+,20-,21-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Inhibition of thromboxane synthase P450 TXA2


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50094191
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50094191
PNG
(17-Aziridin-2-ylmethyl-10,13-dimethyl-2,3,4,7,8,9,...)
Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2CC1CN1
Show InChI InChI=1S/C22H35NO/c1-21-9-7-17(24)12-15(21)3-5-18-19-6-4-14(11-16-13-23-16)22(19,2)10-8-20(18)21/h3,14,16-20,23-24H,4-13H2,1-2H3
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n/an/a 530n/an/an/an/an/an/a



University of the Saarland

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes


J Med Chem 43: 4437-45 (2000)


Article DOI: 10.1021/jm991070n
BindingDB Entry DOI: 10.7270/Q25H7FH3
More data for this
Ligand-Target Pair