Found 47 hits Enz. Inhib. hit(s) with all data for entry = 50038350 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
(Homo sapiens (Human)) | BDBM31773
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM31774
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | 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
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM31772
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375304
(ANALOGUE A)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C23H23Cl2N3O3/c24-16-5-6-19-15(11-16)13-20(26-19)22(30)27-21(12-14-3-1-2-4-18(14)25)23(31)28-9-7-17(29)8-10-28/h1-6,11,13,17,21,26,29H,7-10,12H2,(H,27,30)/t21-/m0/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50128548
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375303
(CHEMBL259552)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1F)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C23H23ClFN3O3/c24-16-5-6-19-15(11-16)13-20(26-19)22(30)27-21(12-14-3-1-2-4-18(14)25)23(31)28-9-7-17(29)8-10-28/h1-6,11,13,17,21,26,29H,7-10,12H2,(H,27,30)/t21-/m0/s1 | PDB
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| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375302
(CHEMBL409630)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C23H25N3O3/c27-18-10-12-26(13-11-18)23(29)21(14-16-6-2-1-3-7-16)25-22(28)20-15-17-8-4-5-9-19(17)24-20/h1-9,15,18,21,24,27H,10-14H2,(H,25,28)/t21-/m0/s1 | PDB
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| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375317
(CHEMBL258892)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C20H22ClN5O3/c21-13-1-2-16-12(7-13)8-17(24-16)19(28)25-18(9-14-10-22-11-23-14)20(29)26-5-3-15(27)4-6-26/h1-2,7-8,10-11,15,18,24,27H,3-6,9H2,(H,22,23)(H,25,28)/t18-/m0/s1 | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375316
(CHEMBL259288)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C23H24ClN3O4/c24-16-3-6-19-15(12-16)13-20(25-19)22(30)26-21(11-14-1-4-17(28)5-2-14)23(31)27-9-7-18(29)8-10-27/h1-6,12-13,18,21,25,28-29H,7-11H2,(H,26,30)/t21-/m0/s1 | PDB
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375318
(Fungistat | Gyno-Terazol | Panlomyc | R-42470 | TE...)Show SMILES CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1 | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50065953
((S)-5-chloro-N-(1-(4-hydroxypiperidin-1-yl)-1-oxo-...)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C23H24ClN3O3/c24-17-6-7-19-16(13-17)14-20(25-19)22(29)26-21(12-15-4-2-1-3-5-15)23(30)27-10-8-18(28)9-11-27/h1-7,13-14,18,21,25,28H,8-12H2,(H,26,29)/t21-/m0/s1 | PDB
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| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50127138
(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r| Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1 | PDB
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| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM35346
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r| Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1 | PDB
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375315
(CHEMBL265700)Show SMILES COc1ccc(C[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)N2CCC(O)CC2)cc1 Show InChI InChI=1S/C24H26ClN3O4/c1-32-19-5-2-15(3-6-19)12-22(24(31)28-10-8-18(29)9-11-28)27-23(30)21-14-16-13-17(25)4-7-20(16)26-21/h2-7,13-14,18,22,26,29H,8-12H2,1H3,(H,27,30)/t22-/m0/s1 | PDB
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| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375314
(CHEMBL410331)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C23H23Cl2N3O3/c24-16-3-1-14(2-4-16)11-21(23(31)28-9-7-18(29)8-10-28)27-22(30)20-13-15-12-17(25)5-6-19(15)26-20/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1 | PDB
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| n/a | n/a | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375306
(TRIARIMOL)Show SMILES OC(c1ccccc1)(c1cncnc1)c1ccc(Cl)cc1Cl |w:1.0| Show InChI InChI=1S/C17H12Cl2N2O/c18-14-6-7-15(16(19)8-14)17(22,12-4-2-1-3-5-12)13-9-20-11-21-10-13/h1-11,22H | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375305
(AZACONAZOLE)Show InChI InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375313
(CHEMBL261013)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1cccnc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C22H23ClN4O3/c23-16-3-4-18-15(11-16)12-19(25-18)21(29)26-20(10-14-2-1-7-24-13-14)22(30)27-8-5-17(28)6-9-27/h1-4,7,11-13,17,20,25,28H,5-6,8-10H2,(H,26,29)/t20-/m0/s1 | PDB
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| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50370232
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM31775
(Amudane | Fulvicin | Grisefuline | Griseofulvin)Show SMILES COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl |t:2| Show InChI InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM39349
(MLS000028526 | N-methyl-N-(3-methylphenyl)carbamot...)Show InChI InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375312
(CHEMBL410851)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1 Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-19-16(13-17)14-20(25-19)22(29)26-21(12-15-4-2-1-3-5-15)23(30)27-10-8-18(28)9-11-27/h1-7,13-14,18,21,25,28H,8-12H2,(H,26,29)/t21-/m0/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375311
(CHEMBL428079)Show SMILES OC1CCN(CC1)C(=O)C1(CCCC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C20H24ClN3O3/c21-14-3-4-16-13(11-14)12-17(22-16)18(26)23-20(7-1-2-8-20)19(27)24-9-5-15(25)6-10-24/h3-4,11-12,15,22,25H,1-2,5-10H2,(H,23,26) | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375310
(CHEMBL410134)Show SMILES OC1CCN(CC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C23H24ClN3O3/c24-17-6-7-19-16(13-17)14-20(25-19)22(29)26-21(12-15-4-2-1-3-5-15)23(30)27-10-8-18(28)9-11-27/h1-7,13-14,18,21,25,28H,8-12H2,(H,26,29)/t21-/m1/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM7939
(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9) | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375309
(BAY-5360 | Flagyl | Flagyl 375 | Flagyl ER | Flagy...)Show InChI InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50241361
(CHEMBL1515 | METHIMAZOLE | US9138393, Methimazole ...)Show InChI InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375308
(CHEMBL262087)Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2CCCCc2[nH]1 Show InChI InChI=1S/C23H29N3O3/c27-18-10-12-26(13-11-18)23(29)21(14-16-6-2-1-3-7-16)25-22(28)20-15-17-8-4-5-9-19(17)24-20/h1-3,6-7,15,18,21,24,27H,4-5,8-14H2,(H,25,28)/t21-/m0/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50065966
((S)-2-[(5-Chloro-1H-indole-2-carbonyl)-amino]-3-ph...)Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C18H15ClN2O3/c19-13-6-7-14-12(9-13)10-15(20-14)17(22)21-16(18(23)24)8-11-4-2-1-3-5-11/h1-7,9-10,16,20H,8H2,(H,21,22)(H,23,24)/t16-/m0/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM20192
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9| Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50344942
(CHEMBL532 | E-MYCIN E | ERYTHROMYCIN | ERYTHROMYCI...)Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r| Show InChI InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50090677
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50027886
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15) | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50067133
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM8903
((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...)Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM22319
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50344965
(1-(4-chlorophenylsulfonyl)-3-propylurea | 4-chloro...)Show InChI InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14) | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM22988
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50026604
(1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)py...)Show SMILES Oc1c(CCS(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1-c1ccccc1 Show InChI InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,26H,16-17H2 | PDB
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ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375307
(CHEMBL409811)Show SMILES OC1CCN(CC1)C(=O)C(Cc1ccccc1)NC(=O)c1ccc[nH]1 |w:9.18| Show InChI InChI=1S/C19H23N3O3/c23-15-8-11-22(12-9-15)19(25)17(13-14-5-2-1-3-6-14)21-18(24)16-7-4-10-20-16/h1-7,10,15,17,20,23H,8-9,11-13H2,(H,21,24) | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM34168
(LOVASTATIN | MLS000069585 | SMR000058779 | US91151...)Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11| Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM50375319
(PREGNENOLONE)Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:9| Show InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1 | PDB
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| Article
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | 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
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| n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human CYP51 |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Homo sapiens (Human)) | BDBM25817
(2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...)Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 | PDB
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| Article
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| n/a | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a |
ACT LLC
Curated by ChEMBL
| Assay Description
Binding affinity to human CYP51 |
Drug Metab Dispos 35: 493-500 (2007)
Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H |
More data for this
Ligand-Target Pair | |
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