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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544190 (CHEMBL4642912) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50250181 (CHEMBL2338421 | N''-(5-Benzofuroxanylmethylidene)I...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
São Paulo State University (UNESP) , Institute of Chemistry, Araraquara 14800060, Brazil. Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysis | J Med Chem 60: 8647-8660 (2017) Article DOI: 10.1021/acs.jmedchem.7b01332 BindingDB Entry DOI: 10.7270/Q20G3NK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50250181 (CHEMBL2338421 | N''-(5-Benzofuroxanylmethylidene)I...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
São Paulo State University (UNESP) , Institute of Chemistry, Araraquara 14800060, Brazil. Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes in presence of NADPH by LC-MS/MS analysis | J Med Chem 60: 8647-8660 (2017) Article DOI: 10.1021/acs.jmedchem.7b01332 BindingDB Entry DOI: 10.7270/Q20G3NK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50250181 (CHEMBL2338421 | N''-(5-Benzofuroxanylmethylidene)I...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
São Paulo State University (UNESP) , Institute of Chemistry, Araraquara 14800060, Brazil. Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis | J Med Chem 60: 8647-8660 (2017) Article DOI: 10.1021/acs.jmedchem.7b01332 BindingDB Entry DOI: 10.7270/Q20G3NK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50250181 (CHEMBL2338421 | N''-(5-Benzofuroxanylmethylidene)I...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
São Paulo State University (UNESP) , Institute of Chemistry, Araraquara 14800060, Brazil. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis | J Med Chem 60: 8647-8660 (2017) Article DOI: 10.1021/acs.jmedchem.7b01332 BindingDB Entry DOI: 10.7270/Q20G3NK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544189 (CHEMBL4638488) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544187 (CHEMBL4633659) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544193 (CHEMBL1540399) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544183 (CHEMBL4647549) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544188 (CHEMBL4643280) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544184 (CHEMBL4638799) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544195 (CHEMBL4639355) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM18069 (5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM38964 (3-[(4-methoxyphenoxy)methyl]benzoic acid | MLS0000...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544191 (CHEMBL4635914) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544186 (CHEMBL4638822) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544192 (CHEMBL4644947) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544182 (CHEMBL4649874) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50508821 (CHEMBL4443020) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544194 (CHEMBL4634216) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.54E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544196 (CHEMBL4637819) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544185 (CHEMBL4638943) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium tuberculosis) | BDBM50544181 (CHEMBL4649468) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University Hospital T£bingen Curated by ChEMBL | Assay Description Inhibition of recombinant Mycobacterium tuberculosis DHFR expressed in Escherichia coli BL21(DE3) cells using DHF as substrate and NADPH as cofactor ... | Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115600 BindingDB Entry DOI: 10.7270/Q28S4TH6 | |||||||||||
More data for this Ligand-Target Pair |