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Compile Data Set for Download or QSAR

Found 19 hits of affinity data for UniProtKB/TrEMBL: P33121   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549459
PNG
(CHEMBL4764916)
Show SMILES Cn1c(Cc2ccc3CCOc3c2)nc2cc(O[C@H]3CC[C@](F)(CC3)c3nnn[nH]3)ccc12
MMDB

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n/an/a 3n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549460
PNG
(CHEMBL4750346)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@](F)(CC4)c4nnn[nH]4)ccc3n2C)c1
MMDB

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n/an/a 13n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549472
PNG
(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+
MMDB

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n/an/a 13n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549468
PNG
(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+
MMDB

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n/an/a 28n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549462
PNG
(CHEMBL4749130)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)c4nnn[nH]4)ccc3n2C)c1
MMDB

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n/an/a 34n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549483
PNG
(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+
MMDB

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n/an/a 39n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549456
PNG
(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+
MMDB

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n/an/a 42n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549465
PNG
(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+
MMDB

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n/an/a 44n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549482
PNG
(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+
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549461
PNG
(CHEMBL4748671)
Show SMILES Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@H](CC4)c4noc(=O)[nH]4)ccc3n2C)c1
MMDB

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n/an/a 47n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549467
PNG
(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+
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549476
PNG
(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+
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549475
PNG
(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+
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549486
PNG
(CHEMBL4757253)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)Oc1ccc2oc3ccccc3c(=O)c2c1
Show InChI InChI=1S/C20H18O5/c21-19-15-3-1-2-4-17(15)25-18-10-9-14(11-16(18)19)24-13-7-5-12(6-8-13)20(22)23/h1-4,9-13H,5-8H2,(H,22,23)/t12-,13-
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549457
PNG
(CHEMBL4761388)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc2oc3ccccc3c(=O)c2c1
Show InChI InChI=1S/C20H18O5/c21-19-15-3-1-2-4-17(15)25-18-10-9-14(11-16(18)19)24-13-7-5-12(6-8-13)20(22)23/h1-4,9-13H,5-8H2,(H,22,23)/t12-,13+
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of ACSL1 (unknown origin) 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


(Homo sapiens)
BDBM50549458
PNG
(CHEMBL4776019)
Show SMILES OC(=O)CCCCCCOc1ccc2oc3ccccc3c(=O)c2c1
Show InChI InChI=1S/C20H20O5/c21-19(22)9-3-1-2-6-12-24-14-10-11-18-16(13-14)20(23)15-7-4-5-8-17(15)25-18/h4-5,7-8,10-11,13H,1-3,6,9,12H2,(H,21,22)
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of ACSL1 (unknown origin) 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


(Homo sapiens)
BDBM50549481
PNG
(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+
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549480
PNG
(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+
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair
Long-chain-fatty-acid--CoA ligase 1


(Homo sapiens)
BDBM50549463
PNG
(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+
MMDB

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Shionogi Pharmaceutical Research Center

Curated by ChEMBL


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...


Bioorg Med Chem Lett 33: (2021)

More data for this
Ligand-Target Pair