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 = 'BDBM50549459'   

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)	BDBM50549459 (CHEMBL4764916) Show SMILES Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@](F)(CC3)c3nnn[nH]3)ccc12 |r,wU:18.19,21.27,(33.36,-17.81,;33.83,-19.28,;32.92,-20.52,;31.38,-20.51,;30.61,-21.84,;29.07,-21.83,;28.3,-23.16,;29.06,-24.5,;28.59,-25.97,;29.84,-26.87,;31.08,-25.97,;30.61,-24.5,;31.37,-23.17,;33.82,-21.77,;35.29,-21.3,;36.62,-22.07,;37.96,-21.3,;39.29,-22.07,;40.63,-21.29,;40.63,-19.77,;41.96,-19,;43.3,-19.77,;43.29,-18.22,;43.29,-21.31,;41.96,-22.07,;44.63,-19,;44.79,-17.48,;46.3,-17.16,;47.07,-18.5,;46.03,-19.64,;37.96,-19.75,;36.62,-18.98,;35.29,-19.76,)| Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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)	BDBM50549459 (CHEMBL4764916) Show SMILES Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@](F)(CC3)c3nnn[nH]3)ccc12 |r,wU:18.19,21.27,(33.36,-17.81,;33.83,-19.28,;32.92,-20.52,;31.38,-20.51,;30.61,-21.84,;29.07,-21.83,;28.3,-23.16,;29.06,-24.5,;28.59,-25.97,;29.84,-26.87,;31.08,-25.97,;30.61,-24.5,;31.37,-23.17,;33.82,-21.77,;35.29,-21.3,;36.62,-22.07,;37.96,-21.3,;39.29,-22.07,;40.63,-21.29,;40.63,-19.77,;41.96,-19,;43.3,-19.77,;43.29,-18.22,;43.29,-21.31,;41.96,-22.07,;44.63,-19,;44.79,-17.48,;46.3,-17.16,;47.07,-18.5,;46.03,-19.64,;37.96,-19.75,;36.62,-18.98,;35.29,-19.76,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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