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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11A1 (CYP11A1)' 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 (CYP11A1)


(Bos taurus (Bovine))
BDBM330393
PNG
(US9725436, Entry 12)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(Cn3ccnc3)c2)cc1
Show InChI InChI=1S/C25H29FN4O2S/c1-20(2)33(31,32)30-13-11-29(12-14-30)25-7-5-21(6-8-25)3-4-22-15-23(17-24(26)16-22)18-28-10-9-27-19-28/h3-10,15-17,19-20H,11-14,18H2,1-2H3/b4-3+
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n/an/a 5n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330396
PNG
(US9725436, Entry 15)
Show SMILES Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCCO2)c1
Show InChI InChI=1S/C26H28FN5O/c27-24-17-22(16-23(18-24)19-30-10-9-28-20-30)3-2-21-4-6-25(7-5-21)31-11-13-32(14-12-31)26-29-8-1-15-33-26/h2-7,9-10,16-18,20H,1,8,11-15,19H2/b3-2+
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n/an/a 17n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330382
PNG
(US9725436, Entry 2)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-31(29,30)28-12-10-27(11-13-28)23-6-4-19(5-7-23)2-3-20-14-21(16-22(24)15-20)17-26-9-8-25-18-26/h2-9,14-16,18H,10-13,17H2,1H3/b3-2+
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n/an/a 24n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330392
PNG
(US9725436, Entry 11)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(Cn3ccnc3)c2)cc1
Show InChI InChI=1S/C23H25FN4O2S/c1-31(29,30)28-12-10-27(11-13-28)23-6-4-19(5-7-23)2-3-20-14-21(16-22(24)15-20)17-26-9-8-25-18-26/h2-9,14-16,18H,10-13,17H2,1H3/b3-2+
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n/an/a 49n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330388
PNG
(US9725436, Entry 7)
Show SMILES Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)cc(c1)-c1ccncc1
Show InChI InChI=1S/C26H26ClN3O2S/c27-24-18-21(17-23(19-24)22-9-11-28-12-10-22)2-1-20-3-5-25(6-4-20)29-13-15-30(16-14-29)33(31,32)26-7-8-26/h1-6,9-12,17-19,26H,7-8,13-16H2/b2-1+
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n/an/a 51n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330389
PNG
(US9725436, Entry 8)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1
Show InChI InChI=1S/C26H28ClN3O2S/c1-20(2)33(31,32)30-15-13-29(14-16-30)26-7-5-21(6-8-26)3-4-22-17-24(19-25(27)18-22)23-9-11-28-12-10-23/h3-12,17-20H,13-16H2,1-2H3/b4-3+
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US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330397
PNG
(US9725436, Entry 16)
Show SMILES Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)S(=O)(=O)C[N+]#[C-])c1
Show InChI InChI=1S/C24H24FN5O2S/c1-26-19-33(31,32)30-12-10-29(11-13-30)24-6-4-20(5-7-24)2-3-21-14-22(16-23(25)15-21)17-28-9-8-27-18-28/h2-9,14-16,18H,10-13,17,19H2/b3-2+
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n/an/a 73n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330398
PNG
(US9725436, Entry 17)
Show SMILES Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)c1
Show InChI InChI=1S/C25H26ClN5O/c26-23-16-21(15-22(17-23)18-29-9-7-27-19-29)2-1-20-3-5-24(6-4-20)30-10-12-31(13-11-30)25-28-8-14-32-25/h1-7,9,15-17,19H,8,10-14,18H2/b2-1+
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n/an/a 130n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330395
PNG
(US9725436, Entry 14)
Show SMILES Fc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)c1
Show InChI InChI=1S/C25H26FN5O/c26-23-16-21(15-22(17-23)18-29-9-7-27-19-29)2-1-20-3-5-24(6-4-20)30-10-12-31(13-11-30)25-28-8-14-32-25/h1-7,9,15-17,19H,8,10-14,18H2/b2-1+
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n/an/a 130n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330383
PNG
(US9725436, Entry 3)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
Show InChI InChI=1S/C24H24FN3O2S/c1-31(29,30)28-14-12-27(13-15-28)24-6-4-19(5-7-24)2-3-20-16-22(18-23(25)17-20)21-8-10-26-11-9-21/h2-11,16-18H,12-15H2,1H3/b3-2+
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n/an/a 200n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330384
PNG
(US9725436, Entry 4)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1
Show InChI InChI=1S/C24H24ClN3O2S/c1-31(29,30)28-14-12-27(13-15-28)24-6-4-19(5-7-24)2-3-20-16-22(18-23(25)17-20)21-8-10-26-11-9-21/h2-11,16-18H,12-15H2,1H3/b3-2+
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CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

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 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330381
PNG
(US9725436, Entry 1)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(Cn3ccnc3)c2)cc1
Show InChI InChI=1S/C23H25ClN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+
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CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330394
PNG
(US9725436, Entry 13)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(Cn3ccnc3)c2)cc1
Show InChI InChI=1S/C23H25FN6/c24-21-14-19(13-20(15-21)16-28-8-7-27-17-28)2-1-18-3-5-22(6-4-18)29-9-11-30(12-10-29)23(25)26/h1-8,13-15,17H,9-12,16H2,(H3,25,26)/b2-1+
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n/an/a 1.40E+3n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330386
PNG
(US9725436, Entry 6)
Show SMILES Fc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)cc(c1)-c1ccncc1
Show InChI InChI=1S/C26H25FN4O/c27-24-18-21(17-23(19-24)22-7-9-28-10-8-22)2-1-20-3-5-25(6-4-20)30-12-14-31(15-13-30)26-29-11-16-32-26/h1-10,17-19H,11-16H2/b2-1+
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CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330391
PNG
(US9725436, Entry 10)
Show SMILES Clc1cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)cc(c1)-c1ccncc1
Show InChI InChI=1S/C26H25ClN4O/c27-24-18-21(17-23(19-24)22-7-9-28-10-8-22)2-1-20-3-5-25(6-4-20)30-12-14-31(15-13-30)26-29-11-16-32-26/h1-10,17-19H,11-16H2/b2-1+
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CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330385
PNG
(US9725436, Entry 5)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1
Show InChI InChI=1S/C24H24FN5/c25-22-16-19(15-21(17-22)20-7-9-28-10-8-20)2-1-18-3-5-23(6-4-18)29-11-13-30(14-12-29)24(26)27/h1-10,15-17H,11-14H2,(H3,26,27)/b2-1+
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n/an/a 3.60E+3n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330390
PNG
(US9725436, Entry 9)
Show SMILES NC(=N)N1CCN(CC1)c1ccc(\C=C\c2cc(Cl)cc(c2)-c2ccncc2)cc1
Show InChI InChI=1S/C24H24ClN5/c25-22-16-19(15-21(17-22)20-7-9-28-10-8-20)2-1-18-3-5-23(6-4-18)29-11-13-30(14-12-29)24(26)27/h1-10,15-17H,11-14H2,(H3,26,27)/b2-1+
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Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

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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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 (CYP11A1)


(Bos taurus (Bovine))
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 (CYP11A1)


(Bos taurus (Bovine))
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 (CYP11A1)


(Bos taurus (Bovine))
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 6.70E+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 (CYP11A1)


(Bos taurus (Bovine))
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 (CYP11A1)


(Bos taurus (Bovine))
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 (CYP11A1)


(Bos taurus (Bovine))
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 (CYP11A1)


(Bos taurus (Bovine))
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 (CYP11A1)


(Bos taurus (Bovine))
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 (CYP11A1)


(Bos taurus (Bovine))
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