Found 18 hits Enz. Inhib. hit(s) with Target = 'Lanosterol 14-alpha-demethylase' 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
(Trypanosoma brucei) | BDBM81297
(Azole, 1)Show SMILES Clc1ccc(cc1)C(CNC(=O)c1ccccc1)(c1ccc(Cl)cc1)n1ccnc1 Show InChI InChI=1S/C24H19Cl2N3O/c25-21-10-6-19(7-11-21)24(29-15-14-27-17-29,20-8-12-22(26)13-9-20)16-28-23(30)18-4-2-1-3-5-18/h1-15,17H,16H2,(H,28,30) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.01E+3 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81309
(Azole, 17)Show SMILES CCCCOc1ccc(cc1)-c1ccc(cc1)C(=O)NC(Cn1ccnc1)c1ccc(Cl)cn1 Show InChI InChI=1S/C27H27ClN4O2/c1-2-3-16-34-24-11-8-21(9-12-24)20-4-6-22(7-5-20)27(33)31-26(18-32-15-14-29-19-32)25-13-10-23(28)17-30-25/h4-15,17,19,26H,2-3,16,18H2,1H3,(H,31,33) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 80 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81298
(Azole, 2)Show SMILES Clc1ccc(C(C[NH+]2C=CN=C2)NC(=O)c2nnc(o2)-c2ccccc2)c(Cl)c1 |c:8,10| Show InChI InChI=1S/C20H15Cl2N5O2/c21-14-6-7-15(16(22)10-14)17(11-27-9-8-23-12-27)24-18(28)20-26-25-19(29-20)13-4-2-1-3-5-13/h1-10,12,17H,11H2,(H,24,28)/p+1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81310
(Azole, 3)Show SMILES Clc1ccc(C(Cn2ccnc2)NC(=O)c2nnc(o2)-c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C20H15Cl2N5O2/c21-14-6-7-15(16(22)10-14)17(11-27-9-8-23-12-27)24-18(28)20-26-25-19(29-20)13-4-2-1-3-5-13/h1-10,12,17H,11H2,(H,24,28)/q-1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81299
(Azole, 4)Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC(Cn1ccnc1)c1ccccc1 Show InChI InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81300
(Azole, 5)Show InChI InChI=1S/C15H15N5O/c21-15(13-8-17-10-19-13)18-9-14(20-7-6-16-11-20)12-4-2-1-3-5-12/h1-8,10-11,14H,9H2,(H,17,19)(H,18,21) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81301
(Azole, 6)Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1cccc2c3ccccc3oc12 Show InChI InChI=1S/C24H19N3O2/c28-24(20-11-6-10-19-18-9-4-5-12-22(18)29-23(19)20)26-15-21(27-14-13-25-16-27)17-7-2-1-3-8-17/h1-14,16,21H,15H2,(H,26,28) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 210 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81302
(Azole, 7)Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1ccc2sc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C25H19N3O2S/c29-24-19-8-4-5-9-22(19)31-23-11-10-18(14-20(23)24)25(30)27-15-21(28-13-12-26-16-28)17-6-2-1-3-7-17/h1-14,16,21H,15H2,(H,27,30) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 310 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81303
(Azole, 8)Show SMILES Clc1ccc(cc1)-c1cc(cs1)C(=O)NCC(c1ccccc1)n1ccnc1 Show InChI InChI=1S/C22H18ClN3OS/c23-19-8-6-17(7-9-19)21-12-18(14-28-21)22(27)25-13-20(26-11-10-24-15-26)16-4-2-1-3-5-16/h1-12,14-15,20H,13H2,(H,25,27) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 210 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81304
(Azole, 9)Show SMILES COc1cccc(Sc2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1 Show InChI InChI=1S/C25H23N3O2S/c1-30-21-8-5-9-23(16-21)31-22-12-10-20(11-13-22)25(29)27-17-24(28-15-14-26-18-28)19-6-3-2-4-7-19/h2-16,18,24H,17H2,1H3,(H,27,29) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 70 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81305
(Azole, 10)Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1cccc(Sc2ccccc2)c1 Show InChI InChI=1S/C24H21N3OS/c28-24(20-10-7-13-22(16-20)29-21-11-5-2-6-12-21)26-17-23(27-15-14-25-18-27)19-8-3-1-4-9-19/h1-16,18,23H,17H2,(H,26,28) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81306
(Azole, 11)Show SMILES COc1ccc(CC(CNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n2ccnc2)cc1 Show InChI InChI=1S/C26H24ClN3O2/c1-32-25-12-2-19(3-13-25)16-24(30-15-14-28-18-30)17-29-26(31)22-6-4-20(5-7-22)21-8-10-23(27)11-9-21/h2-15,18,24H,16-17H2,1H3,(H,29,31) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 710 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |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-/m0/s1 | PDB
MMDB
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | 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
MMDB
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UniProtKB/TrEMBL
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GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 340 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM50214606
(4'-chloro-biphenyl-4-carboxylic acid (2-imidazol-1...)Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCC(c1ccccc1)n1ccnc1 |w:17.18| Show InChI InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 40 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81307
(Azole, 19)Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC(C[NH+]1C=CN=C1)c1ccc(Cl)cn1 |c:21,23| Show InChI InChI=1S/C23H18Cl2N4O/c24-19-7-5-17(6-8-19)16-1-3-18(4-2-16)23(30)28-22(14-29-12-11-26-15-29)21-10-9-20(25)13-27-21/h1-13,15,22H,14H2,(H,28,30)/p+1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81308
(Azole, 20)Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC(Cn1ccnc1)c1ccc(Cl)cn1 Show InChI InChI=1S/C23H18Cl2N4O/c24-19-7-5-17(6-8-19)16-1-3-18(4-2-16)23(30)28-22(14-29-12-11-26-15-29)21-10-9-20(25)13-27-21/h1-13,15,22H,14H2,(H,28,30)/q-1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha-demethylase
(Trypanosoma brucei) | BDBM81298
(Azole, 2)Show SMILES Clc1ccc(C(C[NH+]2C=CN=C2)NC(=O)c2nnc(o2)-c2ccccc2)c(Cl)c1 |c:8,10| Show InChI InChI=1S/C20H15Cl2N5O2/c21-14-6-7-15(16(22)10-14)17(11-27-9-8-23-12-27)24-18(28)20-26-25-19(29-20)13-4-2-1-3-5-13/h1-10,12,17H,11H2,(H,24,28)/p+1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | 6.0 | n/a |
Vanderbilt University
| Assay Description
Azole derivatives used as an inhibitor of TB and TC CYP51. |
Chem Biol 14: 1283-93 (2007)
Article DOI: 10.1016/j.chembiol.2007.10.011
BindingDB Entry DOI: 10.7270/Q22J69B7 |
More data for this
Ligand-Target Pair | |
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