Found 40 hits with Last Name = 'konkle' and Initial = 'me' 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 |
CDGSH iron-sulfur domain-containing protein 2
(Homo sapiens) | BDBM50030474
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay |
Bioorg Med Chem Lett 29: 901-904 (2019)
Article DOI: 10.1016/j.bmcl.2019.01.041 BindingDB Entry DOI: 10.7270/Q2VH5S73 |
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 2
(Homo sapiens) | BDBM50103521
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay |
Bioorg Med Chem Lett 29: 901-904 (2019)
Article DOI: 10.1016/j.bmcl.2019.01.041 BindingDB Entry DOI: 10.7270/Q2VH5S73 |
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614909
(CHEMBL5275946) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614910
(CHEMBL5275915) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614909
(CHEMBL5275946) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614910
(CHEMBL5275915) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 2
(Homo sapiens) | BDBM50350486
(CHEMBL602048)Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
West Virginia University
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay |
Bioorg Med Chem Lett 29: 901-904 (2019)
Article DOI: 10.1016/j.bmcl.2019.01.041 BindingDB Entry DOI: 10.7270/Q2VH5S73 |
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614899
(CHEMBL5284856) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614900
(CHEMBL5282131) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614898
(CHEMBL5285507)Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(F)cc2)cc1Cl | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM13075
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| | n/a | n/a | 4.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614901
(CHEMBL5276945) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 5.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614901
(CHEMBL5276945) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614908
(CHEMBL5276914) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614908
(CHEMBL5276914) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM25902
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
| PDB
| n/a | n/a | 1.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614897
(CHEMBL5281122) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614895
(CHEMBL5276106) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 4.37E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50366480
(ADENOSINE TRIPHOSPHATE | ATP)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| | n/a | n/a | n/a | 1.92E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM25902
(4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbe...)Show InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
| PDB
| n/a | n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
B.MOAD 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) | 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) | 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
B.MOAD 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) | 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
KEGG
UniProtKB/SwissProt
B.MOAD 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) | 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 | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614902
(CHEMBL5283164)Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(Cl)cc2)cc1Cl | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 1.01E+5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614903
(CHEMBL5270332) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 3.49E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614904
(CHEMBL5275408)Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccc(cc2)-c2ccccc2)cc1Cl | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 1.07E+5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614905
(CHEMBL5271611)Show SMILES CCCCCCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 5.82E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614906
(CHEMBL5281138)Show SMILES CCCCCCCCCCCCNc1cc(Cl)c(cc1C(O)=O)S(N)(=O)=O | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 2.36E+5 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614907
(CHEMBL5283699) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | n/a | n/a | 4.53E+4 | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
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) | 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
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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) | 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
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UniProtKB/SwissProt
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PC cid PC sid UniChem
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| 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) | 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
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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) | 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
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| 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) | 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
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| 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) | 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
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UniProtKB/SwissProt
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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) | 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
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UniProtKB/SwissProt
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PC cid PC sid PDB UniChem
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| 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 | |
CDGSH iron-sulfur domain-containing protein 1
(Homo sapiens (Human)) | BDBM50614896
(CHEMBL5280319) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| | n/a | n/a | n/a | n/a | 7.33E+4 | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |