BDBM50373347 CHEMBL264175::PT15
SMILES: CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1
InChI Key: InChIKey=ZURCHSRLJXKILX-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50373347 (CHEMBL264175 | PT15) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis H37RV InhA | Bioorg Med Chem Lett 18: 3029-33 (2008) Article DOI: 10.1016/j.bmcl.2008.04.038 BindingDB Entry DOI: 10.7270/Q2SB46KT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-ACP reductase T276S (T276S ypFabV) (Yersinia pestis (Enterobacteria)) | BDBM50373347 (CHEMBL264175 | PT15) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Würzburg | Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet... | Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50373347 (CHEMBL264175 | PT15) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.82E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Mycobacterium tuberculosis InhA | Citation and Details Article DOI: 10.1007/s00044-010-9518-8 BindingDB Entry DOI: 10.7270/Q2MG7SC4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50373347 (CHEMBL264175 | PT15) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University Curated by ChEMBL | Assay Description Inhibition of 100 nM Mycobacterium tuberculosis H37RV InhA | Bioorg Med Chem Lett 18: 3029-33 (2008) Article DOI: 10.1016/j.bmcl.2008.04.038 BindingDB Entry DOI: 10.7270/Q2SB46KT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-ACP reductase (Wt ypFabV) (Yersinia pestis (Enterobacteria)) | BDBM50373347 (CHEMBL264175 | PT15) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Würzburg | Assay Description IC50 values for the inhibition of wildtype and mutant forms of ypFabV were performed by adding varying concentrations of inhibitor dissolved in dimet... | Biochemistry 55: 2992-3006 (2016) Article DOI: 10.1021/acs.biochem.5b01301 BindingDB Entry DOI: 10.7270/Q25D8QM3 | |||||||||||
More data for this Ligand-Target Pair |