Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Long-chain-fatty-acid--CoA ligase 1' and Ligand = 'BDBM50549465'   

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
Long-chain-fatty-acid--CoA ligase 1 (Homo sapiens)	BDBM50549465 (CHEMBL4797544) Show SMILES Cc1cccc(Cc2nc3nc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(27.14,-46.16,;28.68,-46.17,;29.44,-47.51,;30.99,-47.51,;31.76,-46.18,;30.99,-44.85,;31.76,-43.52,;33.3,-43.53,;34.2,-44.78,;35.67,-44.31,;37.01,-45.08,;38.35,-44.31,;39.68,-45.07,;41.02,-44.3,;41.01,-42.77,;42.35,-42,;43.69,-42.78,;43.68,-44.32,;42.35,-45.08,;45.02,-42.01,;46.36,-42.78,;45.03,-40.47,;38.34,-42.75,;37,-41.99,;35.68,-42.76,;34.21,-42.28,;33.74,-40.82,;29.45,-44.84,)| Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127722 BindingDB Entry DOI: 10.7270/Q2VT1WQ6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549465 (CHEMBL4797544) Show SMILES Cc1cccc(Cc2nc3nc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(27.14,-46.16,;28.68,-46.17,;29.44,-47.51,;30.99,-47.51,;31.76,-46.18,;30.99,-44.85,;31.76,-43.52,;33.3,-43.53,;34.2,-44.78,;35.67,-44.31,;37.01,-45.08,;38.35,-44.31,;39.68,-45.07,;41.02,-44.3,;41.01,-42.77,;42.35,-42,;43.69,-42.78,;43.68,-44.32,;42.35,-45.08,;45.02,-42.01,;46.36,-42.78,;45.03,-40.47,;38.34,-42.75,;37,-41.99,;35.68,-42.76,;34.21,-42.28,;33.74,-40.82,;29.45,-44.84,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant mouse ACSL1 assessed as reduction in acetyl-coA prodution incubated for 90 mins in presence of Coenzyme A, ATP and MgCl2 by...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127722 BindingDB Entry DOI: 10.7270/Q2VT1WQ6
					More data for this Ligand-Target Pair