Compile Data Set for Download or QSAR

Found 6508 hits Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase'   

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
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...				US Patent US10981896 (2021)
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM50248938 (CHEMBL4089284 | US10981896, Compound 21) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...				US Patent US10981896 (2021)
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM50248937 (CHEMBL4062168 | US10981896, Compound 15) Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase PC cid PC sid UniChem Similars	US Patent	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description Candidates for inhibitor selectivity characterization were chosen based on an initial single-timepoint commercial kinome profiling screen performed w...				US Patent US10981896 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50314930 (1-(2-(1-methyl-1H-pyrazol-3-yl)-1H-benzo[d]imidazo...) Show SMILES Cn1ccc(n1)-c1nc2ccc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1 Show InChI InChI=1S/C28H26N8O3/c1-34-8-5-21(33-34)26-31-20-4-3-17(11-23(20)32-26)27(38)36-9-6-28(7-10-36)13-24(37)19-12-22(29-15-25(19)39-28)18-14-30-35(2)16-18/h3-5,8,11-12,14-16H,6-7,9-10,13H2,1-2H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader				Bioorg Med Chem Lett 20: 2383-8 (2010) Article DOI: 10.1016/j.bmcl.2009.04.091 BindingDB Entry DOI: 10.7270/Q22N52DW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50314931 (1-(7-methyl-1H-indazole-5-carbonyl)-6'-(1-methyl-1...) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1cc(ncc1O2)-c1cnn(C)c1 Show InChI InChI=1S/C25H24N6O3/c1-15-7-16(8-17-11-27-29-23(15)17)24(33)31-5-3-25(4-6-31)10-21(32)19-9-20(26-13-22(19)34-25)18-12-28-30(2)14-18/h7-9,11-14H,3-6,10H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader				Bioorg Med Chem Lett 20: 2383-8 (2010) Article DOI: 10.1016/j.bmcl.2009.04.091 BindingDB Entry DOI: 10.7270/Q22N52DW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50314932 (6'-methoxy-1-(7-methyl-1H-indazole-5-carbonyl)spir...) Show SMILES COc1cc2C(=O)CC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)Oc2cn1 Show InChI InChI=1S/C22H22N4O4/c1-13-7-14(8-15-11-24-25-20(13)15)21(28)26-5-3-22(4-6-26)10-17(27)16-9-19(29-2)23-12-18(16)30-22/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2 expressed in CHO cells after 1 hr by fluorescence reader				Bioorg Med Chem Lett 20: 2383-8 (2010) Article DOI: 10.1016/j.bmcl.2009.04.091 BindingDB Entry DOI: 10.7270/Q22N52DW
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459214 (2-[1-[2-[[(3aR,6aS)-5-methylsulfonyl-1,2,3,3a,4,5,...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2C[C@@H](C[C@H]2C1)S(C)(=O)=O Show InChI InChI=1S/C32H37N3O9S2/c1-17-25-28(36)35(32(2,3)30(37)38)31(39)34(29(25)45-26(17)27-33-10-11-43-27)16-24(22-8-6-7-9-23(22)42-4)44-20-12-18-14-21(46(5,40)41)15-19(18)13-20/h6-11,18-21,24H,12-16H2,1-5H3,(H,37,38)/t18-,19+,20-,21-,24?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50069756 (CHEMBL3407547 | Firsocostat | ND-630 | NDI-010976 ...) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50247130 (CHEMBL4073202) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1)NC(N)=O Show InChI InChI=1S/C23H25N3O5/c1-15(26-23(24)27)13-29-21-12-25-22(31-21)17-7-9-18(10-8-17)30-20-4-2-3-19(11-20)28-14-16-5-6-16/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H3,24,26,27)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527539 (US11186587, Example 22) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C29H34N4O9S2/c1-17-22-25(34)33(29(2,3)27(35)36)28(37)32(26(22)43-23(17)24-30-12-15-41-24)16-21(19-8-6-7-9-20(19)40-4)42-18-10-13-31(14-11-18)44(5,38)39/h6-9,12,15,18,21H,10-11,13-14,16H2,1-5H3,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459211 (2-[1-[2-[[(3aR,6aS)-5-cyclopropyl-5-hydroxy-2,3,3a...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C1CC1 Show InChI InChI=1S/C34H39N3O8S/c1-18-26-29(38)37(33(2,3)31(39)40)32(41)36(30(26)46-27(18)28-35-11-12-44-28)17-25(23-7-5-6-8-24(23)43-4)45-22-13-19-15-34(42,21-9-10-21)16-20(19)14-22/h5-8,11-12,19-22,25,42H,9-10,13-17H2,1-4H3,(H,39,40)/t19-,20+,22-,25?,34?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527001 (US11186587, Example 4) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n([C@H]2C[C@](C)(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C30H33N3O8S/c1-17-23-26(34)33(18-14-30(2,15-18)28(35)36)29(37)32(27(23)42-24(17)25-31-10-13-40-25)16-22(41-19-8-11-39-12-9-19)20-6-4-5-7-21(20)38-3/h4-7,10,13,18-19,22H,8-9,11-12,14-16H2,1-3H3,(H,35,36)/t18-,22-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM526973 (US11186587, Example 1) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CC(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C29H31N3O8S/c1-16-23-26(33)32(18-13-17(14-18)28(34)35)29(36)31(27(23)41-24(16)25-30-9-12-39-25)15-22(40-19-7-10-38-11-8-19)20-5-3-4-6-21(20)37-2/h3-6,9,12,17-19,22H,7-8,10-11,13-15H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527538 (US11186587, Example 21) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C32H36N4O8S/c1-18-24-28(38)36(32(2,3)30(39)40)31(41)35(29(24)45-25(18)26-33-13-16-43-26)17-23(21-7-5-6-8-22(21)42-4)44-20-11-14-34(15-12-20)27(37)19-9-10-19/h5-8,13,16,19-20,23H,9-12,14-15,17H2,1-4H3,(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50247081 (CHEMBL4060253) Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1 Show InChI InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-24(12-19)33-26(29-23)20-9-11-25(27-14-20)32-22-5-3-4-21(13-22)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACC1 in human HCT116 cells assessed as reduction of [14C]acetate uptake preincubated for 60 mins followed by addition of [14C]acetate a...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459201 (2-[1-[2-(2-methoxyphenyl)-2-[(2-methylsulfonyl-3,3...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CC2CN(CC2C1)S(C)(=O)=O Show InChI InChI=1S/C31H36N4O9S2/c1-17-24-27(36)35(31(2,3)29(37)38)30(39)34(28(24)45-25(17)26-32-10-11-43-26)16-23(21-8-6-7-9-22(21)42-4)44-20-12-18-14-33(46(5,40)41)15-19(18)13-20/h6-11,18-20,23H,12-16H2,1-5H3,(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527543 (US11186587, Example 26) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2ccc(cc2OC)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C32H31N3O9S/c1-18-26-29(36)35(22-9-8-19(31(37)38)16-24(22)41-3)32(39)34(30(26)45-27(18)28-33-12-15-43-28)17-25(44-20-10-13-42-14-11-20)21-6-4-5-7-23(21)40-2/h4-9,12,15-16,20,25H,10-11,13-14,17H2,1-3H3,(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459208 (2-[1-[2-[[(3aR,6aS)-5-ethyl-5-hydroxy-2,3,3a,4,6,6...) Show SMILES CCC1(O)C[C@@H]2C[C@@H](C[C@@H]2C1)OC(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)c1ccccc1OC Show InChI InChI=1S/C33H39N3O8S/c1-6-33(41)15-19-13-21(14-20(19)16-33)44-24(22-9-7-8-10-23(22)42-5)17-35-29-25(18(2)26(45-29)27-34-11-12-43-27)28(37)36(31(35)40)32(3,4)30(38)39/h7-12,19-21,24,41H,6,13-17H2,1-5H3,(H,38,39)/t19-,20+,21-,24?,33?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459206 (2-[1-[2-[[(3aR,6aS)-5-hydroxy-5-(trifluoromethyl)-...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C(F)(F)F Show InChI InChI=1S/C32H34F3N3O8S/c1-16-23-26(39)38(30(2,3)28(40)41)29(42)37(27(23)47-24(16)25-36-9-10-45-25)15-22(20-7-5-6-8-21(20)44-4)46-19-11-17-13-31(43,32(33,34)35)14-18(17)12-19/h5-10,17-19,22,43H,11-15H2,1-4H3,(H,40,41)/t17-,18+,19-,22?,31?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527537 (US11186587, Example 20) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCN(CC1)C(C)=O Show InChI InChI=1S/C30H34N4O8S/c1-17-23-26(36)34(30(3,4)28(37)38)29(39)33(27(23)43-24(17)25-31-12-15-41-25)16-22(20-8-6-7-9-21(20)40-5)42-19-10-13-32(14-11-19)18(2)35/h6-9,12,15,19,22H,10-11,13-14,16H2,1-5H3,(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459200 (2-[1-[2-[[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-oc...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 Show InChI InChI=1S/C31H35N3O8S/c1-16-24-27(36)34(31(2,3)29(37)38)30(39)33(28(24)43-25(16)26-32-9-10-41-26)15-23(21-7-5-6-8-22(21)40-4)42-20-13-17-11-19(35)12-18(17)14-20/h5-10,17-20,23,35H,11-15H2,1-4H3,(H,37,38)/t17-,18+,19-,20+,23?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50247112 (CHEMBL4085633) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1)NC(C)=O Show InChI InChI=1S/C24H26N2O5/c1-16(26-17(2)27)14-29-23-13-25-24(31-23)19-8-10-20(11-9-19)30-22-5-3-4-21(12-22)28-15-18-6-7-18/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,26,27)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50247114 (CHEMBL4086127) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1)NC(C)=O Show InChI InChI=1S/C23H25N3O5/c1-15(26-16(2)27)13-29-22-12-25-23(31-22)18-8-9-21(24-11-18)30-20-5-3-4-19(10-20)28-14-17-6-7-17/h3-5,8-12,15,17H,6-7,13-14H2,1-2H3,(H,26,27)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human ACC1 expressed in SF-9 cells preincubated for 60 mins followed by addition of substrate solution containing acetyl-Co...				J Med Chem 61: 1098-1117 (2018) Article DOI: 10.1021/acs.jmedchem.7b01547 BindingDB Entry DOI: 10.7270/Q2HQ429W
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM496979 (US10995099, Example 69) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(C2CCC2C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C29H31N3O8S/c1-16-23-26(33)32(20-8-7-18(20)28(34)35)29(36)31(27(23)41-24(16)25-30-11-14-39-25)15-22(40-17-9-12-38-13-10-17)19-5-3-4-6-21(19)37-2/h3-6,11,14,17-18,20,22H,7-10,12-13,15H2,1-2H3,(H,34,35)/t18?,20?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Ruijie Pharmatech Co., Ltd. US Patent					Assay Description An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...				US Patent US10995099 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM496965 (US10995099, Example 55) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)-n1nccn1)OC1CCOCC1 Show InChI InChI=1S/C29H33N5O7S/c1-18-23-24(35)33(29(27(36)37)11-5-6-12-29)28(38)32(26(23)42-25(18)34-30-13-14-31-34)17-22(41-19-9-15-40-16-10-19)20-7-3-4-8-21(20)39-2/h3-4,7-8,13-14,19,22H,5-6,9-12,15-17H2,1-2H3,(H,36,37)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Ruijie Pharmatech Co., Ltd. US Patent					Assay Description An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...				US Patent US10995099 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM489782 (US10995099, Example 26 | US10995099, Example 37) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCC1)C(O)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C29H31N3O8S/c1-17-22-25(33)32(29(27(34)35)10-5-11-29)28(36)31(26(22)41-23(17)24-30-12-15-39-24)16-21(40-18-8-13-38-14-9-18)19-6-3-4-7-20(19)37-2/h3-4,6-7,12,15,18,21H,5,8-11,13-14,16H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Ruijie Pharmatech Co., Ltd. US Patent					Assay Description An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...				US Patent US10995099 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50069756 (CHEMBL3407547 | Firsocostat | ND-630 | NDI-010976 ...) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Ruijie Pharmatech Co., Ltd. US Patent					Assay Description An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...				US Patent US10995099 (2021)
					More data for this Ligand-Target Pair
Biotin Carboxylase (Escherichia coli (strain K12))	BDBM3436 (6-(2,6-Dibromo-phenyl)-pyrido[2,3-d]pyrimidine-2,7...) Show SMILES Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br Show InChI InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	8.0	23
Pfizer Inc					Assay Description Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...				ACS Chem Biol 4: 473-83 (2009) Article DOI: 10.1021/cb9000102 BindingDB Entry DOI: 10.7270/Q2WM1BR8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM496904 (US10995099, Example 42) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(N)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C28H32N4O7S/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H2,29,34)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Ruijie Pharmatech Co., Ltd. US Patent					Assay Description An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...				US Patent US10995099 (2021)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM152913 (US8993586, 109) Show SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(NC5CCC5)nc4c3)NC(=O)c2n1 Show InChI InChI=1S/C28H34N6O2/c1-27(2,3)34-17-20-16-28(31-25(35)24(20)32-34)11-13-33(14-12-28)26(36)19-8-7-18-9-10-23(30-22(18)15-19)29-21-5-4-6-21/h7-10,15,17,21H,4-6,11-14,16H2,1-3H3,(H,29,30)(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...				US Patent US8993586 (2015) BindingDB Entry DOI: 10.7270/Q2N58K43
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM489789 (US10995099, Example 33) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC1)C(O)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C28H29N3O8S/c1-16-21-24(32)31(28(9-10-28)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-7-12-37-13-8-17)18-5-3-4-6-19(18)36-2/h3-6,11,14,17,20H,7-10,12-13,15H2,1-2H3,(H,33,34)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Ruijie Pharmatech Co., Ltd. US Patent					Assay Description An exemplary procedure for the in vitro ACC inhibition assay, which can be used to determine the inhibitory action of compounds of the invention towa...				US Patent US10995099 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM526976 (US11186587, Example 3) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n([C@H]2C[C@@](C)(C2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C30H33N3O8S/c1-17-23-26(34)33(18-14-30(2,15-18)28(35)36)29(37)32(27(23)42-24(17)25-31-10-13-40-25)16-22(41-19-8-11-39-12-9-19)20-6-4-5-7-21(20)38-3/h4-7,10,13,18-19,22H,8-9,11-12,14-16H2,1-3H3,(H,35,36)/t18-,22-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50439646 (CHEMBL2419600 | US8993586, 110) Show SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29-22)25(35)32-13-10-27(11-14-32)16-20-17-33(26(2,3)4)31-23(20)24(34)30-27/h6-9,15,17H,5,10-14,16H2,1-4H3,(H,28,29)(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...				US Patent US8993586 (2015) BindingDB Entry DOI: 10.7270/Q2N58K43
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527016 (US11186587, Example 8) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)C2CC2)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C31H34N4O7S/c1-18-25-29(37)35(20-15-33(16-20)28(36)19-7-8-19)31(38)34(30(25)43-26(18)27-32-11-14-41-27)17-24(42-21-9-12-40-13-10-21)22-5-3-4-6-23(22)39-2/h3-6,11,14,19-21,24H,7-10,12-13,15-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase (Homo sapiens (Human))	BDBM459211 (2-[1-[2-[[(3aR,6aS)-5-cyclopropyl-5-hydroxy-2,3,3a...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C1CC1 Show InChI InChI=1S/C34H39N3O8S/c1-18-26-29(38)37(33(2,3)31(39)40)32(41)36(30(26)46-27(18)28-35-11-12-44-28)17-25(23-7-5-6-8-24(23)43-4)45-22-13-19-15-34(42,21-9-10-21)16-20(19)14-22/h5-8,11-12,19-22,25,42H,9-10,13-17H2,1-4H3,(H,39,40)/t19-,20+,22-,25?,34?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.13	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459215 (2-[1-[2-[[(1S,3S,5R)-6,8-dioxabicyclo[3.2.1]oct-3-...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CO[C@@H](C1)O2 Show InChI InChI=1S/C29H31N3O9S/c1-15-22-25(33)32(29(2,3)27(34)35)28(36)31(26(22)42-23(15)24-30-9-10-38-24)13-20(18-7-5-6-8-19(18)37-4)40-16-11-17-14-39-21(12-16)41-17/h5-10,16-17,20-21H,11-14H2,1-4H3,(H,34,35)/t16-,17?,20?,21?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.21	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527069 (US11186587, Example 12) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)N2CCOCC2)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C32H37N5O8S/c1-20-26-29(38)37(21-17-35(18-21)31(39)34-10-15-43-16-11-34)32(40)36(30(26)46-27(20)28-33-9-14-44-28)19-25(45-22-7-12-42-13-8-22)23-5-3-4-6-24(23)41-2/h3-6,9,14,21-22,25H,7-8,10-13,15-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	1.22	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50426521 (CHEMBL2323626) Show SMILES CNc1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)C2)C(C)(C)C Show InChI InChI=1S/C26H31N5O2/c1-25(2,3)31-16-19-14-26(15-21(32)23(19)29-31)9-11-30(12-10-26)24(33)18-6-5-17-7-8-22(27-4)28-20(17)13-18/h5-8,13,16H,9-12,14-15H2,1-4H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2				ACS Med Chem Lett 4: 16-7 (2013) Article DOI: 10.1021/ml3004044 BindingDB Entry DOI: 10.7270/Q2833TBP
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50562563 (CHEMBL4777068) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(nc4ccccc34)-c3ccc(N)cc3)CC(=O)c2n1 Show InChI InChI=1S/C30H31N5O3/c1-29(2,3)35-18-26-27(33-35)25(36)17-30(38-26)12-14-34(15-13-30)28(37)22-16-24(19-8-10-20(31)11-9-19)32-23-7-5-4-6-21(22)23/h4-11,16,18H,12-15,17,31H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged ACC1 (1 to 2383 residues) expressed in baculovirus infected Sf9 insect cells preincubated for 1...				Eur J Med Chem 212: (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527058 (US11186587, Example 10) Show SMILES CCS(=O)(=O)N1CC(C1)n1c(=O)n(CC(OC2CCOCC2)c2ccccc2OC)c2sc(c(C)c2c1=O)-c1ncco1 Show InChI InChI=1S/C29H34N4O8S2/c1-4-43(36,37)31-15-19(16-31)33-27(34)24-18(2)25(26-30-11-14-40-26)42-28(24)32(29(33)35)17-23(41-20-9-12-39-13-10-20)21-7-5-6-8-22(21)38-3/h5-8,11,14,19-20,23H,4,9-10,12-13,15-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	1.35	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459209 (2-[1-[2-[[(3aR,6aS)-5,5-difluoro-2,3,3a,4,6,6a-hex...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(F)(F)C[C@H]2C1 Show InChI InChI=1S/C31H33F2N3O7S/c1-16-23-26(37)36(30(2,3)28(38)39)29(40)35(27(23)44-24(16)25-34-9-10-42-25)15-22(20-7-5-6-8-21(20)41-4)43-19-11-17-13-31(32,33)14-18(17)12-19/h5-10,17-19,22H,11-15H2,1-4H3,(H,38,39)/t17-,18+,19-,22?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.43	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459212 (2-[1-[2-[[(3aR,6aS)-5-cyano-5-hydroxy-2,3,3a,4,6,6...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(C[C@H]2C1)C#N Show InChI InChI=1S/C32H34N4O8S/c1-17-24-27(37)36(31(2,3)29(38)39)30(40)35(28(24)45-25(17)26-34-9-10-43-26)15-23(21-7-5-6-8-22(21)42-4)44-20-11-18-13-32(41,16-33)14-19(18)12-20/h5-10,18-20,23,41H,11-15H2,1-4H3,(H,38,39)/t18-,19+,20-,23?,32?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.43	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459203 (2-[1-[2-[[(3aR,6aS)-5-hydroxy-5-methyl-2,3,3a,4,6,...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(C)(O)C[C@H]2C1 Show InChI InChI=1S/C32H37N3O8S/c1-17-24-27(36)35(31(2,3)29(37)38)30(39)34(28(24)44-25(17)26-33-10-11-42-26)16-23(21-8-6-7-9-22(21)41-5)43-20-12-18-14-32(4,40)15-19(18)13-20/h6-11,18-20,23,40H,12-16H2,1-5H3,(H,37,38)/t18-,19+,20-,23?,32?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.43	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527545 (US11186587, Example 28) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cccc(C(O)=O)c2F)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C31H28FN3O8S/c1-17-24-28(36)35(21-8-5-7-20(25(21)32)30(37)38)31(39)34(29(24)44-26(17)27-33-12-15-42-27)16-23(43-18-10-13-41-14-11-18)19-6-3-4-9-22(19)40-2/h3-9,12,15,18,23H,10-11,13-14,16H2,1-2H3,(H,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	1.48	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50529222 (CHEMBL4528475) Show SMILES CC(NC(N)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1 Show InChI InChI=1S/C25H24N4O4/c1-15(28-25(26)30)17-7-9-21-22(11-17)33-24(29-21)18-8-10-23(27-13-18)32-20-4-2-3-19(12-20)31-14-16-5-6-16/h2-4,7-13,15-16H,5-6,14H2,1H3,(H3,26,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged ACC1 expressed in baculovirus infected SF9 cells using acetyl-CoA as substrate incubated for 60 mins follo...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126749
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50439642 (CHEMBL2419589 | US8993586, 105) Show SMILES CN(C)c1ccc2ccc(cc2n1)C(=O)N1CCC2(CC1)Cc1cn(nc1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C26H32N6O2/c1-25(2,3)32-16-19-15-26(28-23(33)22(19)29-32)10-12-31(13-11-26)24(34)18-7-6-17-8-9-21(30(4)5)27-20(17)14-18/h6-9,14,16H,10-13,15H2,1-5H3,(H,28,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc US Patent					Assay Description Preparation of rhACC2. Human ACC2 inhibition was measured using purified recombinant human ACC2 (hrACC2). Briefly, a full length Cytomax clone of ACC...				US Patent US8993586 (2015) BindingDB Entry DOI: 10.7270/Q2N58K43
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459210 (2-[1-[2-[[(2S,3aS,6aR)-4,5-dihydroxy-1,2,3,3a,4,5,...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)C(O)[C@H]2C1 Show InChI InChI=1S/C31H35N3O9S/c1-15-23-27(37)34(31(2,3)29(38)39)30(40)33(28(23)44-25(15)26-32-9-10-42-26)14-22(18-7-5-6-8-21(18)41-4)43-17-11-16-12-20(35)24(36)19(16)13-17/h5-10,16-17,19-20,22,24,35-36H,11-14H2,1-4H3,(H,38,39)/t16-,17-,19-,20?,22?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.55	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459213 (2-[1-[2-[[(3aS,6aR)-5-(cyanomethyl)-5-hydroxy-2,3,...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(O)(CC#N)C[C@H]2C1 Show InChI InChI=1S/C33H36N4O8S/c1-18-25-28(38)37(32(2,3)30(39)40)31(41)36(29(25)46-26(18)27-35-11-12-44-27)17-24(22-7-5-6-8-23(22)43-4)45-21-13-19-15-33(42,9-10-34)16-20(19)14-21/h5-8,11-12,19-21,24,42H,9,13-17H2,1-4H3,(H,39,40)/t19-,20+,21-,24?,33?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.56	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM527542 (US11186587, Example 25) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cccc(c2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C31H29N3O8S/c1-18-25-28(35)34(20-7-5-6-19(16-20)30(36)37)31(38)33(29(25)43-26(18)27-32-12-15-41-27)17-24(42-21-10-13-40-14-11-21)22-8-3-4-9-23(22)39-2/h3-9,12,15-16,21,24H,10-11,13-14,17H2,1-2H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	UniChem	US Patent	n/a	n/a	1.57	n/a	n/a	n/a	n/a	n/a	n/a
NANJING SANHOME PHARMACEUTICAL CO., LTD. US Patent					Assay Description 4.5 μL of 2.2×ACC1 enzyme (2 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound we...				US Patent US11186587 (2021)
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM459204 (2-[1-[2-[(5-cyano-1,2,3,3a,4,5,6,6a-octahydropenta...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)O[C@H]1C[C@H]2CC(C[C@H]2C1)C#N Show InChI InChI=1S/C32H34N4O7S/c1-17-25-28(37)36(32(2,3)30(38)39)31(40)35(29(25)44-26(17)27-34-9-10-42-27)16-24(22-7-5-6-8-23(22)41-4)43-21-13-19-11-18(15-33)12-20(19)14-21/h5-10,18-21,24H,11-14,16H2,1-4H3,(H,38,39)/t18?,19-,20+,21+,24?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.64	n/a	n/a	n/a	n/a	n/a	n/a
Sunshine Lake Pharma Co., Ltd. US Patent					Assay Description a. 4.5 μL/well of ACC1/ACC2 working solution (2.22 nM) was added to a 384-well reaction plate (PerkinElmer, 6007290). b. The comp...				US Patent US10759812 (2020)
					More data for this Ligand-Target Pair

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