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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11A1' AND taxid = 9913   
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
Cytochrome P450 11A1


(Bos taurus)
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 11A1


(Bos taurus)
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 11A1


(Bos taurus)
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal desmolase


J Med Chem 35: 2210-4 (1992)


Article DOI: 10.1021/jm00090a010
BindingDB Entry DOI: 10.7270/Q26972HS
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50006551
PNG
((+)3-(4-Amino-phenyl)-3-cyclohexyl-piperidine-2,6-...)
Show SMILES Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
Show InChI InChI=1S/C17H22N2O2/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)11-10-15(20)19-16(17)21/h6-9,12H,1-5,10-11,18H2,(H,19,20,21)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal desmolase


J Med Chem 35: 2210-4 (1992)


Article DOI: 10.1021/jm00090a010
BindingDB Entry DOI: 10.7270/Q26972HS
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50006551
PNG
((+)3-(4-Amino-phenyl)-3-cyclohexyl-piperidine-2,6-...)
Show SMILES Nc1ccc(cc1)C1(CCC(=O)NC1=O)C1CCCCC1
Show InChI InChI=1S/C17H22N2O2/c18-14-8-6-13(7-9-14)17(12-4-2-1-3-5-12)11-10-15(20)19-16(17)21/h6-9,12H,1-5,10-11,18H2,(H,19,20,21)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal desmolase


J Med Chem 35: 2210-4 (1992)


Article DOI: 10.1021/jm00090a010
BindingDB Entry DOI: 10.7270/Q26972HS
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50015983
PNG
((S)-3-Ethyl-1-octyl-4,5-dihydro-3H-[3,4']bipyridin...)
Show SMILES CCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C20H30N2O2/c1-3-5-6-7-8-9-16-22-18(23)10-13-20(4-2,19(22)24)17-11-14-21-15-12-17/h11-12,14-15H,3-10,13,16H2,1-2H3
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n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50024553
PNG
(3-Ethyl-1-nonyl-4,5-dihydro-3H-[3,4']bipyridinyl-2...)
Show SMILES CCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C21H32N2O2/c1-3-5-6-7-8-9-10-17-23-19(24)11-14-21(4-2,20(23)25)18-12-15-22-16-13-18/h12-13,15-16H,3-11,14,17H2,1-2H3
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n/an/a 1.75E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50024543
PNG
(3-Ethyl-1-pentyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C17H24N2O2/c1-3-5-6-13-19-15(20)7-10-17(4-2,16(19)21)14-8-11-18-12-9-14/h8-9,11-12H,3-7,10,13H2,1-2H3
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n/an/a 2.09E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50024550
PNG
(3-Ethyl-1-heptyl-4,5-dihydro-3H-[3,4']bipyridinyl-...)
Show SMILES CCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C19H28N2O2/c1-3-5-6-7-8-15-21-17(22)9-12-19(4-2,18(21)23)16-10-13-20-14-11-16/h10-11,13-14H,3-9,12,15H2,1-2H3
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n/an/a 2.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Bos taurus)
BDBM50024549
PNG
(1-Decyl-3-ethyl-4,5-dihydro-3H-[3,4']bipyridinyl-2...)
Show SMILES CCCCCCCCCCN1C(=O)CCC(CC)(C1=O)c1ccncc1
Show InChI InChI=1S/C22H34N2O2/c1-3-5-6-7-8-9-10-11-18-24-20(25)12-15-22(4-2,21(24)26)19-13-16-23-17-14-19/h13-14,16-17H,3-12,15,18H2,1-2H3
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n/an/a 3.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine desmolase, cytochrome P450 11A1


J Med Chem 30: 1550-4 (1987)


Article DOI: 10.1021/jm00392a004
BindingDB Entry DOI: 10.7270/Q2GM869Q
More data for this
Ligand-Target Pair