Compile Data Set for Download or QSAR

Found 17 hits of affinity data for UniProtKB/TrEMBL: P41216   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 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 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C23H26N2O3/c1-15-4-3-5-16(12-15)13-22-24-20-14-19(10-11-21(20)25(22)2)28-18-8-6-17(7-9-18)23(26)27/h3-5,10-12,14,17-18H,6-9,13H2,1-2H3,(H,26,27)/t17-,18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C24H26N2O4/c1-26-21-9-8-19(30-18-6-4-17(5-7-18)24(27)28)14-20(21)25-23(26)13-15-2-3-16-10-11-29-22(16)12-15/h2-3,8-9,12,14,17-18H,4-7,10-11,13H2,1H3,(H,27,28)/t17-,18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C23H26N2O3/c1-15-4-3-5-17(12-15)14-25-16(2)21-11-10-20(13-22(21)24-25)28-19-8-6-18(7-9-19)23(26)27/h3-5,10-13,18-19H,6-9,14H2,1-2H3,(H,26,27)/t18-,19+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C22H25N3O3/c1-14-4-3-5-15(12-14)13-19-23-21-18(25(19)2)10-11-20(24-21)28-17-8-6-16(7-9-17)22(26)27/h3-5,10-12,16-17H,6-9,13H2,1-2H3,(H,26,27)/t16-,17+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C23H26N2O3/c1-15-3-5-16(6-4-15)13-22-24-20-14-19(11-12-21(20)25(22)2)28-18-9-7-17(8-10-18)23(26)27/h3-6,11-12,14,17-18H,7-10,13H2,1-2H3,(H,26,27)/t17-,18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C23H23F3N2O3/c1-28-20-10-9-18(31-17-7-5-15(6-8-17)22(29)30)13-19(20)27-21(28)12-14-3-2-4-16(11-14)23(24,25)26/h2-4,9-11,13,15,17H,5-8,12H2,1H3,(H,29,30)/t15-,17+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C23H25ClN2O3/c1-14-4-3-5-15(10-14)11-22-25-19-13-21(18(24)12-20(19)26(22)2)29-17-8-6-16(7-9-17)23(27)28/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3,(H,27,28)/t16-,17+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C22H23NO4/c1-14-3-2-4-15(11-14)12-21-23-19-13-18(9-10-20(19)27-21)26-17-7-5-16(6-8-17)22(24)25/h2-4,9-11,13,16-17H,5-8,12H2,1H3,(H,24,25)/t16-,17+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C23H25ClN2O3/c1-14-4-3-5-15(10-14)11-21-25-20-13-18(12-19(24)22(20)26(21)2)29-17-8-6-16(7-9-17)23(27)28/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3,(H,27,28)/t16-,17+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C23H27N3O2/c1-15-4-3-5-16(12-15)13-22-25-20-14-19(10-11-21(20)26(22)2)28-18-8-6-17(7-9-18)23(24)27/h3-5,10-12,14,17-18H,6-9,13H2,1-2H3,(H2,24,27)/t17-,18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C24H27NO3/c1-16-4-3-5-17(12-16)13-20-14-19-15-22(10-11-23(19)25(20)2)28-21-8-6-18(7-9-21)24(26)27/h3-5,10-12,14-15,18,21H,6-9,13H2,1-2H3,(H,26,27)/t18-,21+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C25H28N2O4/c1-15-4-3-5-16(12-15)13-22-23(24(26)28)20-14-19(10-11-21(20)27(22)2)31-18-8-6-17(7-9-18)25(29)30/h3-5,10-12,14,17-18H,6-9,13H2,1-2H3,(H2,26,28)(H,29,30)/t17-,18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					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 Show InChI InChI=1S/C25H26N2O3/c1-16-4-3-5-17(12-16)13-24-22(15-26)21-14-20(10-11-23(21)27(24)2)30-19-8-6-18(7-9-19)25(28)29/h3-5,10-12,14,18-19H,6-9,13H2,1-2H3,(H,28,29)/t18-,19+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					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...				Bioorg Med Chem Lett 33: (2021)
					More data for this Ligand-Target Pair