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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-ACP Reductase (InhA) (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | 200 | 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 | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Uncompetitive inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrate in presence of NADH | Eur J Med Chem 146: 318-343 (2018) BindingDB Entry DOI: 10.7270/Q2GF0X12 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB PubMed | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA | Eur J Med Chem 146: 318-343 (2018) BindingDB Entry DOI: 10.7270/Q2GF0X12 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (InhA) (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | 220 | -37.6 | n/a | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook | Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat... | ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (InhA) (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd. Curated by ChEMBL | Assay Description Inhibition of wild type Mycobacterium tuberculosis inhA | J Med Chem 56: 8533-42 (2013) Article DOI: 10.1021/jm4012033 BindingDB Entry DOI: 10.7270/Q2SB4769 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (InhA) (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA using dodecyl coA as substrate by LC-MS/MS analysis | ACS Med Chem Lett 5: 1005-9 (2014) Article DOI: 10.1021/ml5001933 BindingDB Entry DOI: 10.7270/Q2H41T1D | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA | Eur J Med Chem 146: 318-343 (2018) BindingDB Entry DOI: 10.7270/Q2GF0X12 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (InhA) (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook | Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... | ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (InhA) (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Molecular and Cell Biology Curated by ChEMBL | Assay Description inhibition of Mycobacterium tuberculosis InhA after 20 mins by fluorometric assay | J Nat Prod 65: 1037-8 (2002) Article DOI: 10.1021/np010626i BindingDB Entry DOI: 10.7270/Q22N521Z | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Enoyl-ACP Reductase (InhA) (269/269 = 100%)† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726![]() (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
West China Hospital Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis InhA using trans-2-decenoyl-N-acetylcysteamine as substrate preincubated for 1 hr followed by substrate addi... | Bioorg Med Chem Lett 28: 2084-2090 (2018) BindingDB Entry DOI: 10.7270/Q218390J | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |