Compile Data Set for Download or QSAR

Found 29 hits of ic50 for UniProtKB: P41216   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 (Mus musculus)	BDBM50549460 (CHEMBL4750346) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@](F)(CC4)c4nnn[nH]4)ccc3n2C)c1 |r,wU:13.12,16.20,(3.66,-22.89,;5.2,-22.9,;5.96,-24.24,;7.51,-24.24,;8.28,-22.91,;7.51,-21.58,;8.28,-20.25,;9.82,-20.26,;10.72,-21.51,;12.19,-21.04,;13.53,-21.81,;14.87,-21.03,;16.2,-21.8,;17.53,-21.03,;17.53,-19.5,;18.87,-18.73,;20.21,-19.5,;20.2,-17.96,;20.2,-21.05,;18.87,-21.81,;21.54,-18.74,;21.71,-17.21,;23.21,-16.9,;23.98,-18.23,;22.95,-19.37,;14.86,-19.48,;13.52,-18.72,;12.2,-19.49,;10.73,-19.01,;10.26,-17.55,;5.97,-21.57,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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
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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549462 (CHEMBL4749130) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)c4nnn[nH]4)ccc3n2C)c1 |r,wU:13.12,16.19,(-9.5,-2.08,;-7.96,-2.09,;-7.19,-3.43,;-5.64,-3.43,;-4.88,-2.1,;-5.65,-.77,;-4.87,.56,;-3.33,.56,;-2.43,-.69,;-.96,-.22,;.38,-1,;1.72,-.22,;3.05,-.99,;4.38,-.22,;4.38,1.31,;5.72,2.08,;7.06,1.31,;7.05,-.23,;5.72,-1,;8.39,2.07,;8.55,3.6,;10.06,3.91,;10.83,2.58,;9.79,1.44,;1.71,1.33,;.37,2.09,;-.96,1.32,;-2.42,1.8,;-2.89,3.27,;-7.18,-.76,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549456 (CHEMBL4778736) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(5.4,-17.02,;6.94,-17.02,;7.71,-15.68,;9.25,-15.69,;10.02,-17.02,;9.24,-18.35,;10,-19.68,;11.54,-19.69,;12.44,-20.94,;13.91,-20.47,;15.25,-21.24,;16.59,-20.47,;17.92,-21.23,;19.25,-20.46,;19.25,-18.93,;20.59,-18.16,;21.93,-18.94,;21.92,-20.48,;20.59,-21.24,;23.26,-18.17,;24.59,-18.94,;23.27,-16.63,;16.58,-18.91,;15.24,-18.15,;13.92,-18.93,;12.45,-18.44,;11.98,-16.98,;7.7,-18.35,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549472 (CHEMBL4746996) Show SMILES Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:18.19,21.26,(59.08,-5.64,;59.55,-7.1,;58.64,-8.34,;57.1,-8.34,;56.33,-7,;57.11,-5.68,;56.35,-4.35,;54.81,-4.35,;53.79,-3.19,;52.37,-3.81,;52.52,-5.35,;54.03,-5.68,;54.8,-7.01,;59.54,-9.59,;61,-9.12,;62.34,-9.9,;63.68,-9.12,;65.01,-9.89,;66.35,-9.12,;66.35,-7.59,;67.69,-6.82,;69.02,-7.59,;69.01,-9.13,;67.69,-9.9,;70.35,-6.83,;71.69,-7.6,;70.36,-5.29,;63.67,-7.57,;62.34,-6.81,;61.01,-7.58,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549482 (CHEMBL4755109) Show SMILES Cc1n(Cc2cccc(C)c2)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:16.16,19.23,(34.98,-18.19,;35.45,-19.66,;34.54,-20.97,;33,-20.9,;32.24,-19.56,;33.02,-18.24,;32.25,-16.9,;30.71,-16.9,;29.94,-18.23,;28.4,-18.23,;30.71,-19.56,;35.44,-22.15,;36.91,-21.68,;38.25,-22.45,;39.59,-21.68,;40.92,-22.45,;42.25,-21.68,;42.25,-20.15,;43.59,-19.38,;44.92,-20.15,;44.92,-21.69,;43.59,-22.46,;46.26,-19.38,;47.59,-20.16,;46.26,-17.84,;39.58,-20.13,;38.24,-19.36,;36.92,-20.14,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	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
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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549476 (CHEMBL4783346) Show SMILES Cc1ccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)cc1 |r,wU:12.11,15.18,(29.09,-40.91,;29.86,-42.25,;31.4,-42.25,;32.16,-43.59,;31.38,-44.91,;32.15,-46.25,;33.69,-46.25,;34.59,-47.5,;36.06,-47.03,;37.39,-47.81,;38.73,-47.03,;40.07,-47.8,;41.4,-47.03,;41.4,-45.5,;42.74,-44.73,;44.08,-45.5,;44.07,-47.04,;42.74,-47.81,;45.41,-44.74,;46.74,-45.51,;45.41,-43.2,;38.73,-45.48,;37.39,-44.71,;36.06,-45.49,;34.6,-45.01,;34.13,-43.54,;29.85,-44.92,;29.08,-43.59,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549475 (CHEMBL4800541) Show SMILES Cn1c(Cc2cccc(c2)C(F)(F)F)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:19.19,22.26,(58.95,-44.7,;59.42,-46.17,;58.51,-47.41,;56.97,-47.41,;56.21,-46.07,;56.99,-44.75,;56.23,-43.41,;54.68,-43.41,;53.91,-44.75,;54.68,-46.08,;52.37,-44.74,;51.6,-43.41,;51.6,-46.08,;50.82,-44.73,;59.42,-48.66,;60.88,-48.19,;62.22,-48.96,;63.56,-48.19,;64.89,-48.96,;66.23,-48.19,;66.23,-46.66,;67.57,-45.89,;68.9,-46.66,;68.89,-48.2,;67.57,-48.97,;70.24,-45.89,;71.57,-46.67,;70.24,-44.35,;63.55,-46.64,;62.22,-45.87,;60.89,-46.65,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549461 (CHEMBL4748671) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)c4noc(=O)[nH]4)ccc3n2C)c1 |r,wU:13.12,16.19,(49.86,-8.67,;51.4,-8.67,;52.17,-10.01,;53.72,-10.01,;54.48,-8.68,;53.71,-7.36,;54.49,-6.02,;56.03,-6.03,;56.93,-7.28,;58.4,-6.81,;59.73,-7.58,;61.07,-6.81,;62.41,-7.58,;63.74,-6.81,;63.74,-5.28,;65.08,-4.51,;66.42,-5.28,;66.41,-6.82,;65.08,-7.59,;67.75,-4.51,;67.91,-2.99,;69.42,-2.67,;70.19,-4.01,;71.72,-4.17,;69.15,-5.15,;61.07,-5.26,;59.73,-4.49,;58.4,-5.27,;56.94,-4.79,;56.47,-3.32,;52.18,-7.34,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549467 (CHEMBL4740366) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)c(Cl)cc3n2C)c1 |r,wU:13.12,16.19,(50.33,-34.09,;51.87,-34.1,;52.63,-35.44,;54.18,-35.44,;54.95,-34.11,;54.18,-32.78,;54.96,-31.45,;56.5,-31.46,;57.4,-32.71,;58.86,-32.23,;60.2,-33.01,;61.54,-32.23,;62.88,-33,;64.21,-32.23,;64.21,-30.7,;65.55,-29.93,;66.88,-30.7,;66.88,-32.25,;65.55,-33.01,;68.22,-29.94,;69.55,-30.71,;68.22,-28.4,;61.54,-30.68,;62.87,-29.91,;60.2,-29.92,;58.87,-30.69,;57.41,-30.21,;56.94,-28.75,;52.64,-32.77,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549483 (CHEMBL4781788) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3o2)c1 |r,wU:13.12,16.19,(50.77,-5.88,;52.31,-5.88,;53.09,-4.54,;54.63,-4.55,;55.39,-5.88,;54.61,-7.21,;55.38,-8.54,;56.92,-8.55,;57.82,-9.8,;59.29,-9.33,;60.62,-10.1,;61.96,-9.33,;63.3,-10.1,;64.63,-9.32,;64.63,-7.79,;65.97,-7.03,;67.3,-7.8,;67.3,-9.34,;65.97,-10.1,;68.64,-7.03,;69.97,-7.8,;68.64,-5.49,;61.96,-7.77,;60.62,-7.01,;59.29,-7.79,;57.83,-7.31,;53.08,-7.21,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549468 (CHEMBL4787746) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)cc(Cl)c3n2C)c1 |r,wU:13.12,16.19,(26.38,-34.03,;27.92,-34.04,;28.69,-35.37,;30.23,-35.37,;31,-34.04,;30.23,-32.72,;31.01,-31.39,;32.55,-31.39,;33.45,-32.64,;34.92,-32.17,;36.25,-32.94,;37.59,-32.17,;38.93,-32.94,;40.26,-32.17,;40.26,-30.64,;41.6,-29.87,;42.93,-30.64,;42.93,-32.18,;41.6,-32.95,;44.27,-29.88,;45.6,-30.65,;44.27,-28.34,;37.59,-30.62,;36.25,-29.85,;36.24,-28.31,;34.92,-30.63,;33.46,-30.15,;32.99,-28.68,;28.7,-32.71,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549463 (CHEMBL4751045) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(N)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(3.78,-9.54,;5.32,-9.54,;6.08,-10.88,;7.63,-10.88,;8.4,-9.55,;7.63,-8.23,;8.41,-6.9,;9.95,-6.9,;10.85,-8.15,;12.31,-7.68,;13.65,-8.45,;14.99,-7.68,;16.33,-8.45,;17.66,-7.68,;17.66,-6.15,;19,-5.38,;20.33,-6.15,;20.33,-7.69,;19,-8.46,;21.67,-5.38,;23,-6.16,;21.67,-3.84,;14.99,-6.13,;13.65,-5.36,;12.32,-6.14,;10.86,-5.66,;10.39,-4.19,;6.09,-8.21,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549481 (CHEMBL4757057) Show SMILES Cc1cccc(Cc2cc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(51.63,-18.19,;53.17,-18.19,;53.94,-16.85,;55.48,-16.86,;56.25,-18.19,;55.47,-19.51,;56.23,-20.85,;57.77,-20.85,;58.67,-22.1,;60.14,-21.63,;61.48,-22.41,;62.82,-21.63,;64.15,-22.4,;65.48,-21.63,;65.48,-20.1,;66.82,-19.33,;68.16,-20.1,;68.15,-21.64,;66.82,-22.41,;69.49,-19.34,;70.82,-20.11,;69.49,-17.8,;62.81,-20.08,;61.47,-19.32,;60.15,-20.09,;58.68,-19.61,;58.21,-18.15,;53.94,-19.52,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549480 (CHEMBL4748493) Show SMILES Cc1cccc(Cc2c(C(N)=O)c3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:16.15,19.22,(3.39,-28.77,;4.93,-28.77,;5.7,-27.43,;7.24,-27.44,;8.01,-28.77,;7.23,-30.1,;7.99,-31.43,;9.53,-31.44,;10.43,-32.69,;9.95,-34.15,;8.45,-34.47,;10.98,-35.3,;11.9,-32.22,;13.24,-32.99,;14.58,-32.22,;15.91,-32.99,;17.25,-32.21,;17.25,-30.68,;18.59,-29.92,;19.92,-30.69,;19.91,-32.23,;18.59,-32.99,;21.26,-29.92,;22.59,-30.69,;21.26,-28.38,;14.57,-30.66,;13.24,-29.9,;11.91,-30.68,;10.44,-30.19,;9.97,-28.73,;5.7,-30.1,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549479 (CHEMBL4787809) Show SMILES Cc1cccc(Cc2c(C#N)c3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:15.14,18.21,(27.32,-29.64,;28.86,-29.65,;29.64,-28.31,;31.18,-28.31,;31.94,-29.65,;31.16,-30.97,;31.93,-32.31,;33.47,-32.31,;34.37,-33.56,;33.89,-35.02,;33.41,-36.48,;35.83,-33.09,;37.17,-33.86,;38.51,-33.09,;39.85,-33.86,;41.18,-33.09,;41.18,-31.56,;42.52,-30.79,;43.85,-31.56,;43.85,-33.1,;42.52,-33.87,;45.19,-30.79,;46.52,-31.57,;45.19,-29.25,;38.51,-31.54,;37.17,-30.77,;35.84,-31.55,;34.38,-31.07,;33.91,-29.6,;29.63,-30.97,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549486 (CHEMBL4757253) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc2oc3ccccc3c(=O)c2c1 |r,wU:6.9,wD:3.2,(67.65,-5.64,;66.32,-4.87,;66.32,-3.33,;64.98,-5.63,;63.65,-4.86,;62.31,-5.63,;62.31,-7.16,;63.65,-7.93,;64.98,-7.17,;60.98,-7.93,;59.65,-7.16,;59.64,-5.61,;58.31,-4.84,;56.98,-5.61,;55.63,-4.83,;54.29,-5.61,;52.96,-4.85,;51.63,-5.62,;51.63,-7.16,;52.96,-7.93,;54.29,-7.16,;55.63,-7.94,;55.63,-9.48,;56.98,-7.16,;58.31,-7.93,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549485 (CHEMBL4746718) Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc2Oc3ccccc3Cc2c1 |r,wU:6.9,3.2,(19.63,-5.48,;18.3,-4.71,;18.31,-3.17,;16.97,-5.47,;15.63,-4.7,;14.3,-5.47,;14.3,-7,;15.63,-7.78,;16.96,-7.01,;12.97,-7.77,;11.63,-7,;11.63,-5.45,;10.29,-4.69,;8.96,-5.46,;7.62,-4.68,;6.28,-5.45,;4.94,-4.69,;3.62,-5.46,;3.62,-7,;4.95,-7.77,;6.28,-7.01,;7.61,-7.78,;8.96,-7,;10.29,-7.77,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549477 (CHEMBL4752206) Show SMILES Cc1ccccc1Cc1nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc2n1C |r,wU:14.14,17.21,(4.84,-45.85,;5.61,-44.51,;4.84,-43.18,;5.62,-41.84,;7.16,-41.85,;7.92,-43.19,;7.14,-44.51,;7.91,-45.85,;9.45,-45.85,;10.35,-47.1,;11.82,-46.63,;13.15,-47.4,;14.49,-46.63,;15.83,-47.4,;17.16,-46.63,;17.16,-45.1,;18.5,-44.33,;19.84,-45.1,;19.83,-46.64,;18.5,-47.41,;21.17,-44.33,;22.5,-45.11,;21.17,-42.79,;14.49,-45.08,;13.15,-44.31,;11.82,-45.09,;10.36,-44.61,;9.89,-43.14,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549470 (CHEMBL4791698) Show SMILES Cc1cccc(COc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:14.13,17.20,(53.42,-17.64,;54.18,-18.97,;53.41,-20.31,;54.18,-21.65,;55.71,-21.65,;56.48,-20.32,;58.02,-20.33,;58.78,-21.66,;60.32,-21.67,;61.22,-22.92,;62.69,-22.45,;64.02,-23.22,;65.36,-22.45,;66.69,-23.21,;68.03,-22.44,;68.02,-20.91,;69.36,-20.15,;70.7,-20.92,;70.69,-22.46,;69.36,-23.22,;72.03,-20.15,;73.36,-20.92,;72.04,-18.61,;65.36,-20.9,;64.02,-20.13,;62.69,-20.91,;61.23,-20.43,;60.76,-18.96,;55.72,-18.98,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+3	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549471 (CHEMBL4746709) Show SMILES Cc1cccc(Oc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:13.12,16.19,(4.69,-16.59,;6.23,-16.59,;7.01,-15.25,;8.55,-15.25,;9.31,-16.59,;8.53,-17.91,;9.3,-19.25,;10.84,-19.25,;11.74,-20.5,;13.2,-20.03,;14.54,-20.8,;15.88,-20.03,;17.21,-20.8,;18.55,-20.03,;18.55,-18.5,;19.89,-17.73,;21.22,-18.5,;21.21,-20.04,;19.89,-20.81,;22.55,-17.74,;23.89,-18.51,;22.56,-16.2,;15.88,-18.48,;14.54,-17.71,;13.21,-18.49,;11.75,-18.01,;11.28,-16.54,;7,-17.92,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549474 (CHEMBL4747319) Show SMILES Cn1c(Cc2cccc(c2)C#N)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:17.17,20.24,(11.43,-4.77,;11.9,-6.23,;10.99,-7.47,;9.45,-7.47,;8.69,-6.13,;9.47,-4.81,;8.7,-3.47,;7.16,-3.47,;6.39,-4.81,;7.16,-6.14,;4.85,-4.81,;3.31,-4.8,;11.89,-8.72,;13.36,-8.25,;14.7,-9.03,;16.04,-8.25,;17.37,-9.02,;18.7,-8.25,;18.7,-6.72,;20.04,-5.95,;21.38,-6.72,;21.37,-8.26,;20.04,-9.03,;22.71,-5.96,;24.04,-6.73,;22.72,-4.42,;16.03,-6.7,;14.69,-5.94,;13.37,-6.71,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549464 (CHEMBL4754540) Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)C(O)=O)ncc3n2C)c1 |r,wU:13.12,16.19,(49.91,-45.94,;51.45,-45.95,;52.22,-47.28,;53.76,-47.29,;54.54,-45.95,;53.76,-44.63,;54.54,-43.3,;56.08,-43.31,;56.98,-44.56,;58.45,-44.08,;59.78,-44.86,;61.12,-44.08,;62.46,-44.86,;63.79,-44.08,;63.79,-42.55,;65.13,-41.78,;66.47,-42.55,;66.46,-44.09,;65.13,-44.86,;67.8,-41.79,;69.13,-42.56,;67.81,-40.25,;61.06,-42.5,;59.78,-41.77,;58.45,-42.54,;56.99,-42.06,;56.52,-40.6,;52.23,-44.62,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549466 (CHEMBL4745357) Show SMILES Cc1cccc(Cc2nc3c(Cl)c(O[C@H]4CC[C@H](CC4)C(O)=O)ccc3n2C)c1 |r,wU:14.13,17.20,(4.59,-46.45,;6.13,-46.45,;6.89,-47.79,;8.44,-47.79,;9.21,-46.46,;8.44,-45.14,;9.21,-43.81,;10.75,-43.81,;11.66,-45.06,;13.12,-44.59,;14.46,-45.36,;14.46,-46.9,;15.8,-44.59,;17.13,-45.36,;18.47,-44.59,;18.47,-43.06,;19.81,-42.29,;21.14,-43.06,;21.13,-44.6,;19.81,-45.37,;22.48,-42.29,;23.81,-43.07,;22.48,-40.75,;15.79,-43.04,;14.46,-42.27,;13.13,-43.05,;11.66,-42.57,;11.19,-41.1,;6.9,-45.12,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+4	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549484 (CHEMBL4800499) Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc2oc(nc2c1)-c1ccccc1 |r,wU:6.9,3.2,(41.73,-6.46,;40.39,-5.69,;40.4,-4.15,;39.06,-6.46,;37.73,-5.69,;36.39,-6.45,;36.39,-7.98,;37.73,-8.76,;39.05,-8,;35.06,-8.75,;33.72,-7.99,;33.72,-6.43,;32.38,-5.67,;31.05,-6.45,;29.59,-5.97,;28.68,-7.21,;29.58,-8.46,;31.05,-7.99,;32.38,-8.76,;27.14,-7.2,;26.38,-5.87,;24.84,-5.86,;24.07,-7.19,;24.84,-8.53,;26.37,-8.53,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+4	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549473 (CHEMBL4744155) Show SMILES Cn1c(Cc2cccnc2)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:15.15,18.22,(33.66,-5.24,;34.13,-6.71,;33.22,-7.95,;31.68,-7.94,;30.92,-6.61,;31.7,-5.28,;30.93,-3.95,;29.39,-3.94,;28.62,-5.28,;29.38,-6.61,;34.12,-9.2,;35.59,-8.73,;36.92,-9.5,;38.26,-8.73,;39.6,-9.49,;40.93,-8.72,;40.93,-7.19,;42.27,-6.43,;43.6,-7.2,;43.6,-8.74,;42.27,-9.5,;44.94,-6.43,;46.27,-7.2,;44.94,-4.89,;38.26,-7.17,;36.92,-6.41,;35.59,-7.19,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549478 (CHEMBL4785177) Show SMILES Cc1cccc(Cc2nc3ccc(O[C@H]4CC[C@H](CC4)C(O)=O)cc3n2C)c1 |r,wU:14.13,17.20,(51.91,-30.71,;53.45,-30.71,;54.23,-29.37,;55.77,-29.37,;56.53,-30.71,;55.75,-32.03,;56.52,-33.37,;58.06,-33.38,;58.97,-32.13,;60.43,-32.61,;61.76,-31.84,;63.1,-32.6,;63.1,-34.15,;64.44,-34.92,;65.77,-34.15,;65.77,-32.62,;67.11,-31.85,;68.44,-32.62,;68.44,-34.17,;67.11,-34.93,;69.78,-31.86,;71.11,-32.63,;69.78,-30.32,;61.76,-34.93,;60.43,-34.15,;58.96,-34.63,;58.48,-36.09,;54.22,-32.04,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	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
Long-chain-fatty-acid--CoA ligase 1 (Mus musculus)	BDBM50549469 (CHEMBL4761105) Show SMILES CC(C)n1c(Cc2cccc(C)c2)nc2cc(O[C@H]3CC[C@H](CC3)C(O)=O)ccc12 |r,wU:18.18,21.25,(11.53,-28.11,;10.49,-29.25,;8.99,-28.92,;10.96,-30.72,;10.05,-31.96,;8.51,-31.95,;7.74,-33.28,;8.51,-34.61,;7.74,-35.94,;6.19,-35.94,;5.43,-34.6,;3.89,-34.59,;6.2,-33.27,;10.96,-33.21,;12.42,-32.74,;13.76,-33.51,;15.1,-32.74,;16.43,-33.51,;17.77,-32.73,;17.77,-31.2,;19.11,-30.44,;20.44,-31.21,;20.43,-32.75,;19.11,-33.51,;21.78,-30.44,;23.11,-31.21,;21.78,-28.9,;15.09,-31.18,;13.76,-30.42,;12.43,-31.2,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	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