Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 9355   

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))	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))	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))	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))	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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) BindingDB Entry DOI: 10.7270/Q22N55B7
					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))	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))	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))	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))	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))	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 2 (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 MMDB Reactome pathway 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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.19	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))	BDBM459205 (2-[1-[2-[[(3aR,6aS)-5-fluoro-1,2,3,3a,4,5,6,6a-oct...) 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](F)C[C@@H]2C1 |r| Show InChI InChI=1S/C31H34FN3O7S/c1-16-24-27(36)35(31(2,3)29(37)38)30(39)34(28(24)43-25(16)26-33-9-10-41-26)15-23(21-7-5-6-8-22(21)40-4)42-20-13-17-11-19(32)12-18(17)14-20/h5-10,17-20,23H,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	2.24	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.74	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.07	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.24	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.45	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.53	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.44	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