Found 79 hits with Last Name = 'nes' and Initial = 'wd' 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 |
|---|
Methyltransferase
(Glycine max) | BDBM50371191
(CHEMBL238349)Show SMILES CC(C)SCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC35CC[C@]12C)CC[C@H](O)C4(C)C |w:17.17,19.18| Show InChI InChI=1S/C29H50OS/c1-19(2)31-17-12-20(3)21-10-13-27(7)23-9-8-22-25(4,5)24(30)11-14-28(22)18-29(23,28)16-15-26(21,27)6/h19-24,30H,8-18H2,1-7H3/t20-,21-,22+,23+,24+,26-,27+,28?,29?/m1/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University
Curated by ChEMBL
| Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli |
Bioorg Med Chem Lett 17: 5902-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.096
BindingDB Entry DOI: 10.7270/Q2PR7WTK |
More data for this
Ligand-Target Pair | |
Methyltransferase
(Glycine max) | BDBM50371192
(CHEMBL393145)Show SMILES [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6@@H]3-[#6]-[#6]-[#6@@H]4C5([#6]C35[#6]-[#6][C@]12[#6])[#6]-[#6]-[#6@H](-[#8])C4([#6])[#6] |w:17.17,19.18| Show InChI InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29?,30?/m1/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University
Curated by ChEMBL
| Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli |
Bioorg Med Chem Lett 17: 5902-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.096
BindingDB Entry DOI: 10.7270/Q2PR7WTK |
More data for this
Ligand-Target Pair | |
Methyltransferase
(Glycine max) | BDBM50371190
(CHEMBL446376)Show SMILES CC(CC\C=C(/C)C=C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC35CC[C@]12C)CC[C@H](O)C4(C)C |w:18.18,20.19,1.0| Show InChI InChI=1S/C31H50O/c1-8-21(2)10-9-11-22(3)23-14-16-29(7)25-13-12-24-27(4,5)26(32)15-17-30(24)20-31(25,30)19-18-28(23,29)6/h8,10,22-26,32H,1,9,11-20H2,2-7H3/b21-10+/t22?,23-,24+,25+,26+,28-,29+,30?,31?/m1/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University
Curated by ChEMBL
| Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli |
Bioorg Med Chem Lett 17: 5902-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.096
BindingDB Entry DOI: 10.7270/Q2PR7WTK |
More data for this
Ligand-Target Pair | |
Lanosterol 14-alpha demethylase
(Candida albicans (strain SC5314 / ATCC MYA-2876) (...) | BDBM213825
(VNI)Show SMILES Clc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N5O2/c27-20-10-11-21(22(28)14-20)23(15-33-13-12-29-16-33)30-24(34)17-6-8-19(9-7-17)26-32-31-25(35-26)18-4-2-1-3-5-18/h1-14,16,23H,15H2,(H,30,34)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of Candida albicans CYP51 assessed as reduction in [3-3H]lanosterol 14alpha-demethylation preincubated for 60 secs followed by NADPH addit... |
J Med Chem 61: 5679-5691 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00641
BindingDB Entry DOI: 10.7270/Q26H4KX9 |
More data for this
Ligand-Target Pair | |
Methyltransferase
(Glycine max) | BDBM50371193
(CHEMBL238348)Show SMILES CC(CC\C=C(/C)C#C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C5(CC35CC[C@]12C)CC[C@H](O)C4(C)C |w:18.18,20.19,1.0| Show InChI InChI=1S/C31H48O/c1-8-21(2)10-9-11-22(3)23-14-16-29(7)25-13-12-24-27(4,5)26(32)15-17-30(24)20-31(25,30)19-18-28(23,29)6/h1,10,22-26,32H,9,11-20H2,2-7H3/b21-10+/t22?,23-,24+,25+,26+,28-,29+,30?,31?/m1/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Texas Tech University
Curated by ChEMBL
| Assay Description
Inhibition of soybean recombinant SMT expressed in Escherichia coli |
Bioorg Med Chem Lett 17: 5902-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.096
BindingDB Entry DOI: 10.7270/Q2PR7WTK |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM25810
(2-phenyl-N-(pyridin-4-yl)butanamide | 2-phenyl-N-p...)Show InChI InChI=1S/C15H16N2O/c1-2-14(12-6-4-3-5-7-12)15(18)17-13-8-10-16-11-9-13/h3-11,14H,2H2,1H3,(H,16,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 440 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29341
(ChemDiv 5556-0480, 7)Show InChI InChI=1S/C19H14N2O2/c22-19(21-13-9-11-20-12-10-13)18-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12,18H,(H,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 750 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29342
(ChemDiv C155-0123, 9)Show SMILES CC1CCC(CC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |(6.19,11.83,;4.86,11.06,;3.53,11.83,;2.19,11.06,;2.19,9.52,;3.53,8.75,;4.86,9.52,;.86,8.75,;-.47,9.52,;.86,7.21,;-.47,6.44,;-1.81,7.21,;-3.14,6.44,;-3.62,4.98,;-5.16,4.98,;-5.63,6.44,;-7.04,7.07,;-7.2,8.6,;-5.96,9.5,;-4.55,8.88,;-4.39,7.35,;-.47,4.9,;.86,4.13,;-1.81,4.13,;-1.81,2.59,;-3.14,1.82,;-3.14,.28,;-1.81,-.49,;-.47,.28,;-.47,1.82,)| Show InChI InChI=1S/C24H28N4O2/c1-16-6-8-17(9-7-16)23(29)28-22(24(30)27-19-10-12-25-13-11-19)14-18-15-26-21-5-3-2-4-20(18)21/h2-5,10-13,15-17,22,26H,6-9,14H2,1H3,(H,28,29)(H,25,27,30) | PDB
MMDB
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PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 240 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM22962
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3)c2c1 Show InChI InChI=1S/C24H20ClN3O3/c1-15-20(13-23(29)27-18-4-3-11-26-14-18)21-12-19(31-2)9-10-22(21)28(15)24(30)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3,(H,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 290 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29343
(Indomethacin-amide derivative, 13)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3C)c2c1 Show InChI InChI=1S/C25H22ClN3O3/c1-15-22(5-4-12-27-15)28-24(30)14-20-16(2)29(23-11-10-19(32-3)13-21(20)23)25(31)17-6-8-18(26)9-7-17/h4-13H,14H2,1-3H3,(H,28,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29344
(Indomethacin-amide derivative, 14)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccncc3)c2c1 Show InChI InChI=1S/C25H22ClN3O3/c1-16-21(14-24(30)28-15-17-9-11-27-12-10-17)22-13-20(32-2)7-8-23(22)29(16)25(31)18-3-5-19(26)6-4-18/h3-13H,14-15H2,1-2H3,(H,28,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 540 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29345
(Indomethacin-amide derivative, 15)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)c3ccncc3)c2c1 Show InChI InChI=1S/C26H24ClN3O3/c1-16(18-10-12-28-13-11-18)29-25(31)15-22-17(2)30(24-9-8-21(33-3)14-23(22)24)26(32)19-4-6-20(27)7-5-19/h4-14,16H,15H2,1-3H3,(H,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 370 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29346
(Indomethacin-amide derivative, 16)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccccn3)c2c1 Show InChI InChI=1S/C24H20ClN3O3/c1-15-19(14-23(29)27-22-5-3-4-12-26-22)20-13-18(31-2)10-11-21(20)28(15)24(30)16-6-8-17(25)9-7-16/h3-13H,14H2,1-2H3,(H,26,27,29) | PDB
MMDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29347
(Indomethacin-amide derivative, 19)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccc(nc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C26H21ClF3N3O3/c1-15-20(12-24(34)32-14-16-3-10-23(31-13-16)26(28,29)30)21-11-19(36-2)8-9-22(21)33(15)25(35)17-4-6-18(27)7-5-17/h3-11,13H,12,14H2,1-2H3,(H,32,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 560 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29348
(Indomethacin-amide derivative, 18)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccc(Cl)nc3)c2c1 Show InChI InChI=1S/C25H21Cl2N3O3/c1-15-20(12-24(31)29-14-16-3-10-23(27)28-13-16)21-11-19(33-2)8-9-22(21)30(15)25(32)17-4-6-18(26)7-5-17/h3-11,13H,12,14H2,1-2H3,(H,29,31) | PDB
MMDB
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UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 260 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29349
(Indomethacin-amide derivative, 20)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3cccnc3)c2c1 Show InChI InChI=1S/C26H24ClN3O3/c1-17-22(15-25(31)29-13-11-18-4-3-12-28-16-18)23-14-21(33-2)9-10-24(23)30(17)26(32)19-5-7-20(27)8-6-19/h3-10,12,14,16H,11,13,15H2,1-2H3,(H,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.31E+3 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29350
(Indomethacin-amide derivative, 21)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C27H24Cl2N2O3/c1-17-23(16-26(32)30-13-12-18-4-3-5-21(29)14-18)24-15-22(34-2)10-11-25(24)31(17)27(33)19-6-8-20(28)9-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 360 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | BDBM29351
(Indomethacin-amide derivative, 22)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCC(C)c3ccccc3)c2c1 Show InChI InChI=1S/C28H27ClN2O3/c1-18(20-7-5-4-6-8-20)17-30-27(32)16-24-19(2)31(26-14-13-23(34-3)15-25(24)26)28(33)21-9-11-22(29)12-10-21/h4-15,18H,16-17H2,1-3H3,(H,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | 7.4 | 24 |
Vanderbilt University
| Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th... |
J Med Chem 52: 2846-53 (2009)
Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG |
More data for this
Ligand-Target Pair | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | 320 | 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) | 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
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| PC cid
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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) | 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
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| PC cid
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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
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| PC cid
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| 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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| PC cid
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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) | 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
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| PC cid
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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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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UniChem
| PDB
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 | 
3D Structure (crystal) |
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
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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) |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| PC cid
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| Article
PubMed
| n/a | n/a | n/a | 1.20E+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) | 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
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| PC cid
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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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| PC cid
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| Article
PubMed
| n/a | n/a | n/a | 130 | 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
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UniProtKB/TrEMBL
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| 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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 380 | 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
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UniProtKB/TrEMBL
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| 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
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| PC cid
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| 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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 110 | 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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| PC cid
PC sid
UniChem
| 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) | 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
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UniProtKB/TrEMBL
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| 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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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UniProtKB/SwissProt
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| 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) | 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
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| 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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 110 | 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
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| 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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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| n/a | n/a | n/a | 20 | 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
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| 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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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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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) | 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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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
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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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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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
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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 | |
Sterol 14-alpha demethylase
(Trypanosoma cruzi) | 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
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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
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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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