Compile Data Set for Download or QSAR

Found 955 hits of ic50 data for polymerid = 5472,5473,9251   

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 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50247130 (CHEMBL4073202) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1)NC(N)=O |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Company Limited 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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r,wU:22.24,wD:20.21,8.39,22.27,(4.95,4.78,;3.62,4.01,;2.28,4.78,;2.28,6.32,;.95,7.09,;-.38,6.32,;-.38,4.78,;.95,4.01,;.95,2.47,;2.28,1.7,;2.28,.16,;.95,-.61,;-.51,-.14,;-1.42,-1.38,;-.51,-2.63,;-.99,-4.1,;.95,-2.15,;2.28,-2.92,;2.28,-4.46,;3.62,-2.15,;4.95,-2.92,;5.35,-4.41,;6.84,-4.01,;8.38,-3.97,;6.44,-2.53,;7.57,-5.37,;6.77,-6.68,;9.11,-5.41,;3.62,-.61,;4.95,.16,;-2.96,-1.38,;-3.87,-2.63,;-5.33,-2.15,;-5.33,-.61,;-3.87,-.14,;-.38,1.7,;-1.72,2.47,;-3.05,1.7,;-4.38,2.47,;-4.38,4.01,;-3.05,4.78,;-1.72,4.01,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |(-2.47,-4.39,;-1.14,-3.62,;.2,-4.39,;.2,-5.93,;1.53,-6.7,;2.86,-5.93,;2.86,-4.39,;1.53,-3.62,;1.53,-2.08,;.2,-1.31,;.2,.23,;-1.14,1,;-2.6,.52,;-3.51,1.77,;-2.6,3.01,;-3.08,4.48,;-1.14,2.54,;.2,3.31,;.2,4.85,;1.53,2.54,;2.86,3.31,;4.35,2.91,;4.75,4.39,;3.26,4.79,;6.08,5.16,;7.42,4.39,;6.08,6.7,;1.53,1,;2.86,.23,;-5.05,1.77,;-5.95,.52,;-7.42,1,;-7.42,2.54,;-5.95,3.01,;2.86,-1.31,;4.2,-2.08,;4.2,-3.62,;5.53,-4.39,;6.86,-3.62,;6.86,-2.08,;5.53,-1.31,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Company Limited 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 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |(2.47,-4.62,;1.14,-3.85,;-.19,-4.62,;-.19,-6.16,;-1.53,-6.93,;-2.86,-6.16,;-2.86,-4.62,;-1.53,-3.85,;-1.53,-2.31,;-.19,-1.54,;-.19,,;-1.53,.77,;-2.99,.29,;-3.9,1.54,;-2.99,2.79,;-3.47,4.25,;-1.53,2.31,;-.19,3.08,;-.19,4.62,;1.14,2.31,;2.47,3.08,;2.47,4.62,;3.81,5.39,;5.19,4.65,;5.14,3.08,;3.81,2.31,;3.81,.77,;5.14,,;6.52,5.42,;7.86,4.65,;6.52,6.96,;1.14,.77,;2.47,,;-5.44,1.54,;-6.34,2.79,;-7.81,2.31,;-7.81,.77,;-6.34,.29,;-2.86,-1.54,;-4.2,-2.31,;-5.53,-1.54,;-6.86,-2.31,;-6.86,-3.85,;-5.53,-4.62,;-4.2,-3.85,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50247114 (CHEMBL4086127) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1)NC(C)=O |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Company Limited 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 (Homo sapiens (Human))	BDBM50247112 (CHEMBL4085633) Show SMILES C[C@@H](COc1cnc(o1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1)NC(C)=O |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Company Limited 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 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q2028VPN
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q2028VPN
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q2028VPN
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q2028VPN
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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) BindingDB Entry DOI: 10.7270/Q2028VPN
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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) BindingDB Entry DOI: 10.7270/Q2028VPN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetyl-CoA carboxylase 1 (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 |r,wU:8.39,22.27,wD:20.21,22.24,(4.9,-4.47,;3.56,-3.7,;2.23,-4.47,;2.23,-6.01,;.89,-6.78,;-.44,-6.01,;-.44,-4.47,;.89,-3.7,;.89,-2.16,;2.23,-1.39,;2.23,.15,;.89,.92,;-.57,.44,;-1.48,1.69,;-.57,2.93,;-1.05,4.4,;.89,2.46,;2.23,3.23,;2.23,4.77,;3.56,2.46,;4.9,3.23,;6.38,2.83,;6.78,4.31,;7.52,5.67,;5.29,4.71,;8.32,4.27,;9.06,2.92,;9.13,5.59,;3.56,.92,;4.9,.15,;-3.02,1.69,;-3.92,.44,;-5.39,.92,;-5.39,2.46,;-3.92,2.93,;-.44,-1.39,;-1.77,-2.16,;-3.11,-1.39,;-4.44,-2.16,;-4.44,-3.7,;-3.11,-4.47,;-1.77,-3.7,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |(2.47,-3.85,;1.14,-3.08,;-.19,-3.85,;-.19,-5.39,;-1.53,-6.16,;-2.86,-5.39,;-2.86,-3.85,;-1.53,-3.08,;-1.53,-1.54,;-.19,-.77,;-.19,.77,;-1.53,1.54,;-2.99,1.06,;-3.9,2.31,;-2.99,3.56,;-3.47,5.02,;-1.53,3.08,;-.19,3.85,;-.19,5.39,;1.14,3.08,;2.47,3.85,;2.47,5.39,;3.81,6.16,;5.14,5.39,;5.14,3.85,;6.47,3.08,;6.47,1.54,;7.81,3.85,;3.81,3.08,;3.81,1.54,;1.14,1.54,;2.47,.77,;-5.44,2.31,;-6.34,3.56,;-7.81,3.08,;-7.81,1.54,;-6.34,1.06,;-2.86,-.77,;-4.2,-1.54,;-5.53,-.77,;-6.86,-1.54,;-6.86,-3.08,;-5.53,-3.85,;-4.2,-3.08,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 BindingDB Entry DOI: 10.7270/Q2R214TX
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527094 (US11186587, Example 14) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)c2ncc[nH]2)c1=O)-c1ncco1)OC1CCOCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.69	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 |r| 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of ACC1 (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM459202 (2-[1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenteno[c...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CC2COCC2C1 Show InChI InChI=1S/C30H33N3O8S/c1-16-23-26(34)33(30(2,3)28(35)36)29(37)32(27(23)42-24(16)25-31-9-10-40-25)13-22(20-7-5-6-8-21(20)38-4)41-19-11-17-14-39-15-18(17)12-19/h5-10,17-19,22H,11-15H2,1-4H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.76	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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 BindingDB Entry DOI: 10.7270/Q2R214TX
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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 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 (Homo sapiens (Human))	BDBM527050 (US11186587, Example 9) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)S(C)(=O)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.03	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50529224 (CHEMBL4435891) Show SMILES CC(NC(=O)N(C)C)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)nc1 Show InChI InChI=1S/C27H28N4O4/c1-17(29-27(32)31(2)3)19-9-11-23-24(13-19)35-26(30-23)20-10-12-25(28-15-20)34-22-6-4-5-21(14-22)33-16-18-7-8-18/h4-6,9-15,17-18H,7-8,16H2,1-3H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	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 BindingDB Entry DOI: 10.7270/Q2R214TX
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527546 (US11186587, Example 29) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cccc(C(O)=O)c2OC)c1=O)-c1ncco1)OC1CCOCC1 |(-2.86,-3.85,;-1.53,-3.08,;-.19,-3.85,;-.19,-5.39,;1.14,-6.16,;2.47,-5.39,;2.47,-3.85,;1.14,-3.08,;1.14,-1.54,;-.19,-.77,;-.19,.77,;-1.53,1.54,;-2.99,1.06,;-3.9,2.31,;-2.99,3.56,;-3.47,5.02,;-1.53,3.08,;-.19,3.85,;-.19,5.39,;1.14,3.08,;2.47,3.85,;2.47,5.39,;3.81,6.16,;5.14,5.39,;5.19,3.82,;6.52,3.05,;6.52,1.51,;7.86,3.82,;3.81,3.08,;3.81,1.54,;5.14,.77,;1.14,1.54,;2.47,.77,;-5.44,2.31,;-6.34,3.56,;-7.81,3.08,;-7.81,1.54,;-6.34,1.06,;2.47,-.77,;3.81,-1.54,;3.81,-3.08,;5.14,-3.85,;6.47,-3.08,;6.47,-1.54,;5.14,-.77,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM50247080 (CHEMBL4098647) Show SMILES CC(NC(C)=O)c1ccc2nc(oc2c1)-c1ccc(Oc2cccc(OCC3CC3)c2)cc1 Show InChI InChI=1S/C27H26N2O4/c1-17(28-18(2)30)21-10-13-25-26(14-21)33-27(29-25)20-8-11-22(12-9-20)32-24-5-3-4-23(15-24)31-16-19-6-7-19/h3-5,8-15,17,19H,6-7,16H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited 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 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	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 ACC1				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 (Homo sapiens (Human))	BDBM50562555 (CHEMBL4792495) Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(cc2O3)C(C)(C)C)c2ccccc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113036 BindingDB Entry DOI: 10.7270/Q2GX4G85
					More data for this Ligand-Target Pair

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