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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11A1'   
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)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 5n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330396
PNG
(US9725436, Entry 15)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 17n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330382
PNG
(US9725436, Entry 2)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 24n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Rattus norvegicus)
BDBM50335519
PNG
((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Show SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2
Show InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
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n/an/a 41.4n/an/an/an/an/an/a



National Chemical Laboratory

Curated by ChEMBL




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


(Bos taurus (Bovine))
BDBM330392
PNG
(US9725436, Entry 11)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 49n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330388
PNG
(US9725436, Entry 7)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 51n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330389
PNG
(US9725436, Entry 8)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 58n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330397
PNG
(US9725436, Entry 16)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 73n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330395
PNG
(US9725436, Entry 14)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 130n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330398
PNG
(US9725436, Entry 17)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 130n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330383
PNG
(US9725436, Entry 3)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 200n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Rattus norvegicus)
BDBM50225960
PNG
(CHEMBL310176)
Show SMILES CC(C)CC(N)C(=O)NC(COC(C)=O)P(O)(O)=O
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n/an/a 219n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50225959
PNG
(CHEMBL307316)
Show SMILES CC(C)C(NC(=O)C(C)N)P(O)(O)=O
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n/an/a 401n/an/an/an/an/an/a



TBA

Curated by ChEMBL




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


(Bos taurus (Bovine))
BDBM330384
PNG
(US9725436, Entry 4)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 450n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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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CHEMBL
PC cid
PC sid
UniChem
PubMed
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


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of cholesterol side chain cleavage cytochrome P450


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


(Bos taurus (Bovine))
BDBM330381
PNG
(US9725436, Entry 1)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 1.30E+3n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330394
PNG
(US9725436, Entry 13)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 1.40E+3n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330386
PNG
(US9725436, Entry 6)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 1.80E+3n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Rattus norvegicus)
BDBM50103513
PNG
(CHEBI:17076 | Chemform | Gerox | NSC-14083 | STREP...)
Show SMILES CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)O[C@@H](C)[C@]1(O)C=O
Show InChI InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
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n/an/a 2.23E+3n/an/an/an/an/an/a



National Chemical Laboratory

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50218278
PNG
(CHEMBL279571)
Show SMILES CCCCCCCCCCCCO[C@H](COP(O)(=O)OC1OC(C(O)C(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)C1OC1OC(CO)C(O)C(O)C1NC(=O)c1cccc(c1)C(F)(F)F)C(N)=O)C(O)=O
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UniChem
n/an/a 2.50E+3n/an/an/an/an/an/a



Advanced Medicine, Inc.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50335519
PNG
((S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-(...)
Show SMILES CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2
Show InChI InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Advanced Medicine, Inc.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50004442
PNG
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1
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n/an/a 2.95E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of cholesterol side chain cleavage cytochrome P450


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


(Bos taurus (Bovine))
BDBM330391
PNG
(US9725436, Entry 10)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 3.50E+3n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Bos taurus (Bovine))
BDBM330385
PNG
(US9725436, Entry 5)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 3.60E+3n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Rattus norvegicus)
BDBM50004441
PNG
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m1/s1
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PC sid
UniChem
PubMed
n/an/a 3.92E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of cholesterol side chain cleavage cytochrome P450


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of cytochrome P450 19A1 involved in steroid biosynthesis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50222406
PNG
(CHEMBL430074)
Show SMILES CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2c3Oc4ccc(cc4Cl)[C@@H](O)[C@@H]4NC(=O)[C@H](NC(=O)[C@@H]5NC(=O)[C@H](CC(N)=O)NC(=O)[C@](C)(NC(=O)[C@@H](CC(C)C)NC)[C@H](O)c6ccc(Oc2cc5c3)c(Cl)c6)c2ccc(O)c(c2)-c2c(O)c(CNCP(O)(O)=O)c(O)cc2[C@@H](NC4=O)C(O)=O)O[C@@H](C)C1O
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n/an/a 5.65E+3n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50225949
PNG
(CHEMBL67862)
Show SMILES CC(C)CC(N)C(=O)NC(C)P(O)(O)=O
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n/an/a 8.39E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




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


(Bos taurus (Bovine))
BDBM330390
PNG
(US9725436, Entry 9)
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 1.00E+4n/an/an/an/an/an/a



Universita degli Studi di Firenze





J Med Chem 48: 2121-5 (2005)

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


(Rattus norvegicus)
BDBM50221769
PNG
(CHEMBL166184)
Show SMILES C[C@H](CCC(=O)N[C@@H](CO)[C@@H](O)c1ccc(cc1)[N+]([O-])=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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n/an/a 1.70E+4n/an/an/an/an/an/a



National Chemical Laboratory

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50225951
PNG
(CHEMBL71636)
Show SMILES CC(C)CC(N)C(=O)NC(C)(C)P(O)(O)=O
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n/an/a 1.74E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50221777
PNG
(CHEMBL352932)
Show SMILES C[C@H](CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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n/an/a 2.55E+4n/an/an/an/an/an/a



National Chemical Laboratory

Curated by ChEMBL




Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50218323
PNG
(CHEMBL406969)
Show SMILES CC(C)CCCC(C)CCC(C)CCC(C)(C)CCCCC(C)CCO[C@H](COP(O)(=O)OC1OC(C(N)=O)C(C)(O)C(OC(N)=O)C1OC1OC(CO)C(OC2OC(C)C(O)C(O)C2NC(C)=O)C(O)C1NC(C)=O)C(O)=O
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n/an/a 5.04E+4n/an/an/an/an/an/a



Advanced Medicine, Inc.

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50225967
PNG
(CHEMBL71582)
Show SMILES CC(N)C(=O)NC(C1CCCC1)P(O)(O)=O
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n/an/a 6.39E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
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




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50221774
PNG
(CHEMBL353406)
Show SMILES C[C@H](CCC(=O)N[C@@H](CO)[C@@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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n/an/a 7.17E+4n/an/an/an/an/an/a



National Chemical Laboratory

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Homo sapiens (Human))
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)
PDB
MMDB

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n/an/a 8.00E+4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of progesterone production in hamster ovarian tissue


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50225970
PNG
(CHEMBL71637)
Show SMILES CC(N)C(=O)NC(C)(C)P(O)(O)=O
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n/an/a 9.04E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50221746
PNG
(CHEMBL354064)
Show SMILES C[C@H](CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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n/an/a 9.95E+4n/an/an/an/an/an/a



National Chemical Laboratory

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50221744
PNG
(CHEMBL349656)
Show SMILES C[C@H](CCC(=O)N[C@H](CO)[C@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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n/an/a 1.07E+5n/an/an/an/an/an/a



National Chemical Laboratory

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50225955
PNG
(CHEMBL305291)
Show SMILES CC(C)CC(N)C(=O)NC(CCC(O)=O)P(O)(O)=O
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n/an/a 1.08E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50221745
PNG
(CHEMBL350726)
Show SMILES C[C@H](CCC(=O)N[C@H](CO)[C@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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n/an/a 1.10E+5n/an/an/an/an/an/a



National Chemical Laboratory

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50225950
PNG
(CHEMBL420005)
Show SMILES CC(N)C(=O)NC(CCC(O)=O)P(O)(O)=O
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n/an/a 1.25E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM50225972
PNG
(CHEMBL70855)
Show SMILES CC(N)C(=O)NC(C)P(O)(O)=O
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n/an/a 1.52E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
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