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| 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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16300 (INH-NAD Adduct | ISONICOTINIC-ACETYL-NICOTINAMIDE-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet  | KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.75 | -51.6 | 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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 1.10 | -50.6 | 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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 9.40 | -45.4 | 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 | |||||||||||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16296 (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | 11.8 | -44.8 | 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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16299 (14PP | 2-phenoxy-5-tetradecylphenol) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 30.3 | -42.5 | 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 | |||||||||||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE 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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16298 (5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 5 | 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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16297 (5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 11 | 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 | |||||||||||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16296 (5-Pentyl-2-phenoxy-phenol | 5-pentyl-2-phenoxylphe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 17 | 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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16295 (4PP | 5-Butyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 80 | 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 | |||||||||||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16299 (14PP | 2-phenoxy-5-tetradecylphenol) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | 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 | |||||||||||||
| Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE 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-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16294 (2PP | 5-Ethyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.00E+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 | |||||||||||||
