Found 15 hits of affinity data for UniProtKB/TrEMBL: Q64654 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50161586
(4-{(2S,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)Show SMILES Nc1ccc(SC[C@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Apparent Ki for rat Lanosterol 14-alpha demethylase |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50044425
(4-{(2R,4R)-2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazo...)Show SMILES Nc1ccc(SC[C@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31653
(CHEMBL421109 | imidazole-dioxolane, 5)Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Discovery Research
Curated by ChEMBL
| Assay Description
Apparent Ki for rat Lanosterol 14-alpha demethylase |
J Med Chem 36: 2235-7 (1993)
BindingDB Entry DOI: 10.7270/Q2ZW1K0P |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50213693
((3S,5S,8R,9S,10S,13R,14R,17R)-5,13-dimethyl-17-((R...)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(CC3CO3)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(O)[C@H]3CC[C@]12C |w:13.12| Show InChI InChI=1S/C30H52O3/c1-20(2)7-6-8-21(3)24-12-15-29(18-23-19-33-23)25-10-13-27(4)17-22(31)9-16-30(27,32)26(25)11-14-28(24,29)5/h20-26,31-32H,6-19H2,1-5H3/t21-,22+,23?,24-,25-,26+,27+,28-,29-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sinhgad College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of rat liver LDM |
Bioorg Med Chem 15: 4674-99 (2007)
Article DOI: 10.1016/j.bmc.2007.04.031
BindingDB Entry DOI: 10.7270/Q24J0FZ9 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of Progesterone 21-hydroxylase cytochrome P450 21 |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM31768
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 119 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50046560
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition rat liver microsome cytochrome P450DM |
J Med Chem 36: 410-6 (1993)
BindingDB Entry DOI: 10.7270/Q2S181K5 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50004441
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50046560
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition rat liver microsome cytochrome P450DM |
J Med Chem 36: 410-6 (1993)
BindingDB Entry DOI: 10.7270/Q2S181K5 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50046560
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition rat liver microsome cytochrome P450DM |
J Med Chem 36: 410-6 (1993)
BindingDB Entry DOI: 10.7270/Q2S181K5 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50004442
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Syntex Research
Curated by ChEMBL
| Assay Description
Inhibition of lanosterol 14 alpha-demethylase cytochrome P450 51A |
J Med Chem 35: 2818-25 (1992)
BindingDB Entry DOI: 10.7270/Q24Q7SZT |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50046561
(1-[17-(1,5-Dimethyl-hexyl)-3-hydroxy-4,4,10,13-tet...)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)=O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition rat liver microsome cytochrome P450DM |
J Med Chem 36: 410-6 (1993)
BindingDB Entry DOI: 10.7270/Q2S181K5 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50046561
(1-[17-(1,5-Dimethyl-hexyl)-3-hydroxy-4,4,10,13-tet...)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)=O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15| Show InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition rat liver microsome cytochrome P450DM |
J Med Chem 36: 410-6 (1993)
BindingDB Entry DOI: 10.7270/Q2S181K5 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Rattus norvegicus) | BDBM50213698
((1R,3aS,3bR,5aS,7S,9aS,9bS,11aR,E)-3,10-dihydroxy-...)Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC(N=O)[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@H](O)CC[C@]4(O)[C@H]3CC[C@]12C Show InChI InChI=1S/C28H49NO3/c1-18(2)8-7-9-19(3)23-16-24(29-32)27(6)21-11-13-25(4)17-20(30)10-15-28(25,31)22(21)12-14-26(23,27)5/h18-24,30-31H,7-17H2,1-6H3/t19-,20+,21-,22+,23-,24?,25+,26-,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sinhgad College of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of rat liver LDM |
Bioorg Med Chem 15: 4674-99 (2007)
Article DOI: 10.1016/j.bmc.2007.04.031
BindingDB Entry DOI: 10.7270/Q24J0FZ9 |
More data for this
Ligand-Target Pair | |
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