Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50040057   

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
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388655 (CHEMBL2059303) Show SMILES CCNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C29H38N6O5S/c1-3-30-28(39)31-24-22(20-8-6-9-21(40-2)23(20)41-24)25(36)32-16-10-19(11-17-32)33-13-7-12-29(18-33)26(37)34-14-4-5-15-35(34)27(29)38/h6,8-9,19H,3-5,7,10-18H2,1-2H3,(H2,30,31,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388657 (CHEMBL2059099) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCCN1C2=O Show InChI InChI=1S/C30H40N6O4S/c1-2-31-29(40)32-25-24(22-10-5-6-11-23(22)41-25)26(37)33-18-12-21(13-19-33)34-15-9-14-30(20-34)27(38)35-16-7-3-4-8-17-36(35)28(30)39/h5-6,10-11,21H,2-4,7-9,12-20H2,1H3,(H2,31,32,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388656 (CHEMBL2059301) Show SMILES COc1cccc2c(C(=O)N3CCC(CC3)N3CCCC4(C3)C(=O)N3CCCCN3C4=O)c(NC(N)=O)sc12 Show InChI InChI=1S/C27H34N6O5S/c1-38-19-7-4-6-18-20(22(29-26(28)37)39-21(18)19)23(34)30-14-8-17(9-15-30)31-11-5-10-27(16-31)24(35)32-12-2-3-13-33(32)25(27)36/h4,6-7,17H,2-3,5,8-16H2,1H3,(H3,28,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388654 (CHEMBL2059302) Show SMILES CNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C28H36N6O5S/c1-29-27(38)30-23-21(19-7-5-8-20(39-2)22(19)40-23)24(35)31-15-9-18(10-16-31)32-12-6-11-28(17-32)25(36)33-13-3-4-14-34(33)26(28)37/h5,7-8,18H,3-4,6,9-17H2,1-2H3,(H2,29,30,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388658 (CHEMBL2059098) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O Show InChI InChI=1S/C29H38N6O4S/c1-2-30-28(39)31-24-23(21-9-4-5-10-22(21)40-24)25(36)32-17-11-20(12-18-32)33-14-8-13-29(19-33)26(37)34-15-6-3-7-16-35(34)27(29)38/h4-5,9-10,20H,2-3,6-8,11-19H2,1H3,(H2,30,31,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388663 (CHEMBL2059093) Show SMILES CCN1N(CC)C(=O)C2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(=O)NC)sc3ccccc23)C1=O Show InChI InChI=1S/C27H36N6O4S/c1-4-32-24(35)27(25(36)33(32)5-2)13-8-14-31(17-27)18-11-15-30(16-12-18)23(34)21-19-9-6-7-10-20(19)38-22(21)29-26(37)28-3/h6-7,9-10,18H,4-5,8,11-17H2,1-3H3,(H2,28,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388659 (CHEMBL2059097) Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O Show InChI InChI=1S/C28H36N6O4S/c1-29-27(38)30-23-22(20-8-3-4-9-21(20)39-23)24(35)31-16-10-19(11-17-31)32-13-7-12-28(18-32)25(36)33-14-5-2-6-15-34(33)26(28)37/h3-4,8-9,19H,2,5-7,10-18H2,1H3,(H2,29,30,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388664 (CHEMBL2059092) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N(C)N(C)C2=O Show InChI InChI=1S/C26H34N6O4S/c1-4-27-25(36)28-21-20(18-8-5-6-9-19(18)37-21)22(33)31-14-10-17(11-15-31)32-13-7-12-26(16-32)23(34)29(2)30(3)24(26)35/h5-6,8-9,17H,4,7,10-16H2,1-3H3,(H2,27,28,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388655 (CHEMBL2059303) Show SMILES CCNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C29H38N6O5S/c1-3-30-28(39)31-24-22(20-8-6-9-21(40-2)23(20)41-24)25(36)32-16-10-19(11-17-32)33-13-7-12-29(18-33)26(37)34-14-4-5-15-35(34)27(29)38/h6,8-9,19H,3-5,7,10-18H2,1-2H3,(H2,30,31,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388656 (CHEMBL2059301) Show SMILES COc1cccc2c(C(=O)N3CCC(CC3)N3CCCC4(C3)C(=O)N3CCCCN3C4=O)c(NC(N)=O)sc12 Show InChI InChI=1S/C27H34N6O5S/c1-38-19-7-4-6-18-20(22(29-26(28)37)39-21(18)19)23(34)30-14-8-17(9-15-30)31-11-5-10-27(16-31)24(35)32-12-2-3-13-33(32)25(27)36/h4,6-7,17H,2-3,5,8-16H2,1H3,(H3,28,29,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388657 (CHEMBL2059099) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCCN1C2=O Show InChI InChI=1S/C30H40N6O4S/c1-2-31-29(40)32-25-24(22-10-5-6-11-23(22)41-25)26(37)33-18-12-21(13-19-33)34-15-9-14-30(20-34)27(38)35-16-7-3-4-8-17-36(35)28(30)39/h5-6,10-11,21H,2-4,7-9,12-20H2,1H3,(H2,31,32,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388660 (CHEMBL2059096) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C28H36N6O4S/c1-2-29-27(38)30-23-22(20-8-3-4-9-21(20)39-23)24(35)31-16-10-19(11-17-31)32-13-7-12-28(18-32)25(36)33-14-5-6-15-34(33)26(28)37/h3-4,8-9,19H,2,5-7,10-18H2,1H3,(H2,29,30,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388654 (CHEMBL2059302) Show SMILES CNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C28H36N6O5S/c1-29-27(38)30-23-21(19-7-5-8-20(39-2)22(19)40-23)24(35)31-15-9-18(10-16-31)32-12-6-11-28(17-32)25(36)33-13-3-4-14-34(33)26(28)37/h5,7-8,18H,3-4,6,9-17H2,1-2H3,(H2,29,30,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50388655 (CHEMBL2059303) Show SMILES CCNC(=O)Nc1sc2c(OC)cccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C29H38N6O5S/c1-3-30-28(39)31-24-22(20-8-6-9-21(40-2)23(20)41-24)25(36)32-16-10-19(11-17-32)33-13-7-12-29(18-33)26(37)34-14-4-5-15-35(34)27(29)38/h6,8-9,19H,3-5,7,10-18H2,1-2H3,(H2,30,31,39)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of rat ACC1				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388662 (CHEMBL2059094) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCN1C2=O Show InChI InChI=1S/C27H34N6O4S/c1-2-28-26(37)29-22-21(19-7-3-4-8-20(19)38-22)23(34)30-15-9-18(10-16-30)31-12-5-11-27(17-31)24(35)32-13-6-14-33(32)25(27)36/h3-4,7-8,18H,2,5-6,9-17H2,1H3,(H2,28,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50388661 (CHEMBL2059095) Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C27H34N6O4S/c1-28-26(37)29-22-21(19-7-2-3-8-20(19)38-22)23(34)30-15-9-18(10-16-30)31-12-6-11-27(17-31)24(35)32-13-4-5-14-33(32)25(27)36/h2-3,7-8,18H,4-6,9-17H2,1H3,(H2,28,29,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388663 (CHEMBL2059093) Show SMILES CCN1N(CC)C(=O)C2(CCCN(C2)C2CCN(CC2)C(=O)c2c(NC(=O)NC)sc3ccccc23)C1=O Show InChI InChI=1S/C27H36N6O4S/c1-4-32-24(35)27(25(36)33(32)5-2)13-8-14-31(17-27)18-11-15-30(16-12-18)23(34)21-19-9-6-7-10-20(19)38-22(21)29-26(37)28-3/h6-7,9-10,18H,4-5,8,11-17H2,1-3H3,(H2,28,29,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388658 (CHEMBL2059098) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O Show InChI InChI=1S/C29H38N6O4S/c1-2-30-28(39)31-24-23(21-9-4-5-10-22(21)40-24)25(36)32-17-11-20(12-18-32)33-14-8-13-29(19-33)26(37)34-15-6-3-7-16-35(34)27(29)38/h4-5,9-10,20H,2-3,6-8,11-19H2,1H3,(H2,30,31,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388659 (CHEMBL2059097) Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCCN1C2=O Show InChI InChI=1S/C28H36N6O4S/c1-29-27(38)30-23-22(20-8-3-4-9-21(20)39-23)24(35)31-16-10-19(11-17-31)32-13-7-12-28(18-32)25(36)33-14-5-2-6-15-34(33)26(28)37/h3-4,8-9,19H,2,5-7,10-18H2,1H3,(H2,29,30,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388664 (CHEMBL2059092) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N(C)N(C)C2=O Show InChI InChI=1S/C26H34N6O4S/c1-4-27-25(36)28-21-20(18-8-5-6-9-19(18)37-21)22(33)31-14-10-17(11-15-31)32-13-7-12-26(16-32)23(34)29(2)30(3)24(26)35/h5-6,8-9,17H,4,7,10-16H2,1-3H3,(H2,27,28,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388660 (CHEMBL2059096) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C28H36N6O4S/c1-2-29-27(38)30-23-22(20-8-3-4-9-21(20)39-23)24(35)31-16-10-19(11-17-31)32-13-7-12-28(18-32)25(36)33-14-5-6-15-34(33)26(28)37/h3-4,8-9,19H,2,5-7,10-18H2,1H3,(H2,29,30,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388662 (CHEMBL2059094) Show SMILES CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCN1C2=O Show InChI InChI=1S/C27H34N6O4S/c1-2-28-26(37)29-22-21(19-7-3-4-8-20(19)38-22)23(34)30-15-9-18(10-16-30)31-12-5-11-27(17-31)24(35)32-13-6-14-33(32)25(27)36/h3-4,7-8,18H,2,5-6,9-17H2,1H3,(H2,28,29,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50388661 (CHEMBL2059095) Show SMILES CNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(CC1)N1CCCC2(C1)C(=O)N1CCCCN1C2=O Show InChI InChI=1S/C27H34N6O4S/c1-28-26(37)29-22-21(19-7-2-3-8-20(19)38-22)23(34)30-15-9-18(10-16-30)31-12-6-11-27(17-31)24(35)32-13-4-5-14-33(32)25(27)36/h2-3,7-8,18H,4-6,9-17H2,1H3,(H2,28,29,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green as...				Bioorg Med Chem Lett 22: 4769-72 (2012) Article DOI: 10.1016/j.bmcl.2012.05.062 BindingDB Entry DOI: 10.7270/Q28C9X9H
					More data for this Ligand-Target Pair