Affinity Data by PDB ID

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PDB code 4OXY

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Enoyl-[acyl-carrier-protein] reductase [NADH] (269/269 = 100%)^† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373355 (CHEMBL264415 \| PT10) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	129	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
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-ACP Reductase (InhA) (269/269 = 100%)^† (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373355 (CHEMBL264415 \| PT10) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	180	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
Stony Brook University Curated by ChEMBL					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...)	BDBM50373355 (CHEMBL264415 \| PT10) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition concentration against human adenosine kinase				Eur J Med Chem 146: 318-343 (2018) BindingDB Entry DOI: 10.7270/Q2GF0X12
CNRS Curated by ChEMBL					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...)	BDBM50373355 (CHEMBL264415 \| PT10) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB	n/a	n/a	5.56E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis InhA				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SC4
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output