Affinity Data by PubMed id=23092194

PubMed code 23092194

Found 14 hits of 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 [NADPH] FabI (Staphylococcus aureus)	BDBM50399411 (CHEMBL2178304 \| PT405) Show SMILES CCc1cc(O)c(Oc2ccccc2F)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399407 (CHEMBL2178284 \| MUT056399) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399400 (CHEMBL2178291) Show SMILES CCc1cc(O)c(Oc2cccnc2F)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399404 (CHEMBL2178287 \| US8623865, 1) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399405 (CHEMBL2178286 \| US8623865, 2) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399410 (CHEMBL2178305) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C#N)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399412 (CHEMBL2178303 \| PT411) Show SMILES CCc1cc(O)c(Oc2ccccc2)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399409 (CHEMBL2178282) Show SMILES CCc1ccc(Oc2ccc(cc2)C(=O)CCCO)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399402 (CHEMBL2178289) Show SMILES CCc1cc(O)c(Oc2cccnc2N)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol \| CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI	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	59	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399406 (CHEMBL2178285) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(=O)NC)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399403 (CHEMBL2178288) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(O)=O)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399408 (CHEMBL2178283) Show SMILES CCc1cc(OC)c(Oc2ccc(cc2F)C(N)=O)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399401 (CHEMBL2178290) Show SMILES CCc1cc(O)c(Oc2ccc[nH]c2=O)cc1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
Mutabilis Curated by ChEMBL					More data for this Ligand-Target Pair

* indicates data uncertainty>20%