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6 similar compounds to monomer 50311131

Compile data set for download or QSAR
Wt: 375.5
BDBM50025395
Wt: 345.5
BDBM50025400
Wt: 359.5
BDBM50025349
Wt: 359.5
BDBM50025330
Wt: 331.4
BDBM50025412
Wt: 359.5
BDBM50025348

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50025395,50025400,50025349,50025330,50025412,50025348   
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
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025400
PNG
(1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H37NO2/c1-4-24-19-7-6-16-17(21(19,2)12-10-20(24)25)8-13-22(3)18(16)9-14-23(22)11-5-15-26-23/h16-19H,4-15H2,1-3H3/t16?,17?,18?,19?,21?,22?,23-/m0/s1
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025400
PNG
(1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H37NO2/c1-4-24-19-7-6-16-17(21(19,2)12-10-20(24)25)8-13-22(3)18(16)9-14-23(22)11-5-15-26-23/h16-19H,4-15H2,1-3H3/t16?,17?,18?,19?,21?,22?,23-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025349
PNG
(1',4a',10'-trimethyl-(10'R)-spiro[tetrahydrofuran-...)
Show SMILES CCN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H37NO2/c1-15-14-18-21(2,10-8-19(25)24(18)4)16-6-11-22(3)17(20(15)16)7-12-23(22)9-5-13-26-23/h15-18,20H,5-14H2,1-4H3/t15-,16?,17?,18?,20?,21?,22?,23-/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025349
PNG
(1',4a',10'-trimethyl-(10'R)-spiro[tetrahydrofuran-...)
Show SMILES CCN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H37NO2/c1-15-14-18-21(2,10-8-19(25)24(18)4)16-6-11-22(3)17(20(15)16)7-12-23(22)9-5-13-26-23/h15-18,20H,5-14H2,1-4H3/t15-,16?,17?,18?,20?,21?,22?,23-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025395
PNG
((1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-...)
Show SMILES CCOC(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C23H37NO3/c1-5-27-21(26)14-15-6-8-17-16-7-9-19-23(3,13-11-20(25)24(19)4)18(16)10-12-22(15,17)2/h15-19H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,22-,23-/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025395
PNG
((1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-...)
Show SMILES CCOC(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C23H37NO3/c1-5-27-21(26)14-15-6-8-17-16-7-9-19-23(3,13-11-20(25)24(19)4)18(16)10-12-22(15,17)2/h15-19H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,22-,23-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025400
PNG
(1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H37NO2/c1-4-24-19-7-6-16-17(21(19,2)12-10-20(24)25)8-13-22(3)18(16)9-14-23(22)11-5-15-26-23/h16-19H,4-15H2,1-3H3/t16?,17?,18?,19?,21?,22?,23-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025412
PNG
(1',4a'-dimethylspiro[tetrahydrofuran-2,7'-perhydro...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@H]2CCC1=O
Show InChI InChI=1S/C21H33NO2/c1-20-11-9-19(23)22(2)18(20)7-4-14-15-8-12-21(10-3-13-24-21)17(15)6-5-16(14)20/h14-18H,3-13H2,1-2H3/t14?,15?,16?,17?,18?,20?,21-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025330
PNG
(1',4a',6a'-trimethylspiro[tetrahydrofuran-2,7'-per...)
Show SMILES C[C@H]1CC2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCCO3)[C@H]12
Show InChI InChI=1S/C22H35NO2/c1-20-11-9-19(24)23(3)18(20)6-5-15-16(20)7-12-21(2)17(15)8-13-22(21)10-4-14-25-22/h15-18H,4-14H2,1-3H3/t15?,16?,17?,18?,20?,21?,22-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025348
PNG
(1',4a',6a'-trimethylspiro[tetrahydrofuran-2,7'-per...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C22H33NO3/c1-20-10-8-18(24)23(3)17(20)5-4-14-15(20)6-11-21(2)16(14)7-12-22(21)13-9-19(25)26-22/h14-17H,4-13H2,1-3H3/t14?,15?,16?,17?,20?,21?,22-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025330
PNG
(1',4a',6a'-trimethylspiro[tetrahydrofuran-2,7'-per...)
Show SMILES C[C@H]1CC2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCCO3)[C@H]12
Show InChI InChI=1S/C22H35NO2/c1-20-11-9-19(24)23(3)18(20)6-5-15-16(20)7-12-21(2)17(15)8-13-22(21)10-4-14-25-22/h15-18H,4-14H2,1-3H3/t15?,16?,17?,18?,20?,21?,22-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025348
PNG
(1',4a',6a'-trimethylspiro[tetrahydrofuran-2,7'-per...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C22H33NO3/c1-20-10-8-18(24)23(3)17(20)5-4-14-15(20)6-11-21(2)16(14)7-12-22(21)13-9-19(25)26-22/h14-17H,4-13H2,1-3H3/t14?,15?,16?,17?,20?,21?,22-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair