Compile Data Set for Download or QSAR

Found 93 hits Enz. Inhib. hit(s) with all data for entry = 9882   

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))	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))	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))	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))	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))	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))	BDBM496912 (US10995099, Example 46) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC1)C(N)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C28H30N4O7S/c1-16-21-24(33)32(28(9-10-28)26(29)34)27(35)31(25(21)40-22(16)23-30-11-14-38-23)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,(H2,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496921 (US10995099, Example 53) Show SMILES CNC(=O)C1(CCC1)n1c(=O)n(CC(OC2CCOCC2)c2ccccc2OC)c2sc(c(C)c2c1=O)-c1ncco1 Show InChI InChI=1S/C30H34N4O7S/c1-18-23-26(35)34(30(11-6-12-30)28(36)31-2)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-4-5-8-21(20)38-3/h4-5,7-8,13,16,19,22H,6,9-12,14-15,17H2,1-3H3,(H,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496973 (US10995099, Example 63) Show SMILES CNC(=O)CC1(CC1)n1c(=O)n(C[C@H](OC2CCOCC2)c2ccccc2OC)c2sc(c(C)c2c1=O)-c1ncco1 |r| Show InChI InChI=1S/C30H34N4O7S/c1-18-24-27(36)34(30(10-11-30)16-23(35)31-2)29(37)33(28(24)42-25(18)26-32-12-15-40-26)17-22(41-19-8-13-39-14-9-19)20-6-4-5-7-21(20)38-3/h4-7,12,15,19,22H,8-11,13-14,16-17H2,1-3H3,(H,31,35)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496974 (US10995099, Example 64) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC(N)=O)CC1)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C29H32N4O7S/c1-17-23-26(35)33(29(9-10-29)15-22(30)34)28(36)32(27(23)41-24(17)25-31-11-14-39-25)16-21(40-18-7-12-38-13-8-18)19-5-3-4-6-20(19)37-2/h3-6,11,14,18,21H,7-10,12-13,15-16H2,1-2H3,(H2,30,34)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496964 (US10995099, Example 54) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCC1)C(N)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C29H32N4O7S/c1-17-22-25(34)33(29(27(30)35)10-5-11-29)28(36)32(26(22)41-23(17)24-31-12-15-39-24)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,(H2,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496976 (US10995099, Example 66) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(=O)OC(C)(C)C)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C32H39N3O8S/c1-19-24-27(36)35(32(5,6)29(37)43-31(2,3)4)30(38)34(28(24)44-25(19)26-33-14-17-41-26)18-23(42-20-12-15-40-16-13-20)21-10-8-9-11-22(21)39-7/h8-11,14,17,20,23H,12-13,15-16,18H2,1-7H3/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM489785 (US10995099, Example 29) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CC1)C(O)=O)OC1CCOCC1 |r| Show InChI InChI=1S/C25H27BrN2O7S/c1-14-19-21(29)28(25(9-10-25)23(30)31)24(32)27(22(19)36-20(14)26)13-18(35-15-7-11-34-12-8-15)16-5-3-4-6-17(16)33-2/h3-6,15,18H,7-13H2,1-2H3,(H,30,31)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496909 (US10995099, Example 44) Show SMILES CNC(=O)C1(CCCC1)n1c(=O)n(CC(OC2CCOCC2)c2ccccc2OC)c2sc(c(C)c2c1=O)-c1ncco1 Show InChI InChI=1S/C31H36N4O7S/c1-19-24-27(36)35(31(29(37)32-2)12-6-7-13-31)30(38)34(28(24)43-25(19)26-33-14-17-41-26)18-23(42-20-10-15-40-16-11-20)21-8-4-5-9-22(21)39-3/h4-5,8-9,14,17,20,23H,6-7,10-13,15-16,18H2,1-3H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496905 (US10995099, Example 43) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCCC1)C(N)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C30H34N4O7S/c1-18-23-26(35)34(30(28(31)36)11-5-6-12-30)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-3-4-8-21(20)38-2/h3-4,7-8,13,16,19,22H,5-6,9-12,14-15,17H2,1-2H3,(H2,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM489787 (US10995099, Example 31) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CCC1)C(O)=O)OC1CCOCC1 |r| Show InChI InChI=1S/C26H29BrN2O7S/c1-15-20-22(30)29(26(24(31)32)10-5-11-26)25(33)28(23(20)37-21(15)27)14-19(36-16-8-12-35-13-9-16)17-6-3-4-7-18(17)34-2/h3-4,6-7,16,19H,5,8-14H2,1-2H3,(H,31,32)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496913 (US10995099, Example 47) Show SMILES CNC(=O)C1(CC1)n1c(=O)n(CC(OC2CCOCC2)c2ccccc2OC)c2sc(c(C)c2c1=O)-c1ncco1 Show InChI InChI=1S/C29H32N4O7S/c1-17-22-25(34)33(29(10-11-29)27(35)30-2)28(36)32(26(22)41-23(17)24-31-12-15-39-24)16-21(40-18-8-13-38-14-9-18)19-6-4-5-7-20(19)37-3/h4-7,12,15,18,21H,8-11,13-14,16H2,1-3H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM496972 (US10995099, Example 62) Show SMILES CNC(=O)CC1(CC1)n1c(=O)n(C[C@H](OC2CCOCC2)c2ccccc2OC)c2sc(Br)c(C)c2c1=O |r| Show InChI InChI=1S/C27H32BrN3O6S/c1-16-22-24(33)31(27(10-11-27)14-21(32)29-2)26(34)30(25(22)38-23(16)28)15-20(37-17-8-12-36-13-9-17)18-6-4-5-7-19(18)35-3/h4-7,17,20H,8-15H2,1-3H3,(H,29,32)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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))	BDBM489781 (US10995099, Example 25 | US10995099, Example 36) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C30H33N3O8S/c1-18-23-26(34)33(30(28(35)36)11-5-6-12-30)29(37)32(27(23)42-24(18)25-31-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-3-4-8-21(20)38-2/h3-4,7-8,13,16,19,22H,5-6,9-12,14-15,17H2,1-2H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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 2 (Homo sapiens (Human))	BDBM489781 (US10995099, Example 25 | US10995099, Example 36) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C30H33N3O8S/c1-18-23-26(34)33(30(28(35)36)11-5-6-12-30)29(37)32(27(23)42-24(18)25-31-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-3-4-8-21(20)38-2/h3-4,7-8,13,16,19,22H,5-6,9-12,14-15,17H2,1-2H3,(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	<10	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 2 (Homo sapiens (Human))	BDBM489787 (US10995099, Example 31) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CCC1)C(O)=O)OC1CCOCC1 |r| Show InChI InChI=1S/C26H29BrN2O7S/c1-15-20-22(30)29(26(24(31)32)10-5-11-26)25(33)28(23(20)37-21(15)27)14-19(36-16-8-12-35-13-9-16)17-6-3-4-7-18(17)34-2/h3-4,6-7,16,19H,5,8-14H2,1-2H3,(H,31,32)/t19-/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	<10	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 2 (Homo sapiens (Human))	BDBM489786 (US10995099, Example 30) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)OC1CCOCC1 |r| Show InChI InChI=1S/C27H31BrN2O7S/c1-16-21-23(31)30(27(25(32)33)11-5-6-12-27)26(34)29(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-3-4-8-19(18)35-2/h3-4,7-8,17,20H,5-6,9-15H2,1-2H3,(H,32,33)/t20-/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	<10	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 2 (Homo sapiens (Human))	BDBM489785 (US10995099, Example 29) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CC1)C(O)=O)OC1CCOCC1 |r| Show InChI InChI=1S/C25H27BrN2O7S/c1-14-19-21(29)28(25(9-10-25)23(30)31)24(32)27(22(19)36-20(14)26)13-18(35-15-7-11-34-12-8-15)16-5-3-4-6-17(16)33-2/h3-6,15,18H,7-13H2,1-2H3,(H,30,31)/t18-/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	<10	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 2 (Homo sapiens (Human))	BDBM489781 (US10995099, Example 25 | US10995099, Example 36) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCCC1)C(O)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C30H33N3O8S/c1-18-23-26(34)33(30(28(35)36)11-5-6-12-30)29(37)32(27(23)42-24(18)25-31-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-3-4-8-21(20)38-2/h3-4,7-8,13,16,19,22H,5-6,9-12,14-15,17H2,1-2H3,(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	<10	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 2 (Homo sapiens (Human))	BDBM496974 (US10995099, Example 64) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC(N)=O)CC1)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C29H32N4O7S/c1-17-23-26(35)33(29(9-10-29)15-22(30)34)28(36)32(27(23)41-24(17)25-31-11-14-39-25)16-21(40-18-7-12-38-13-8-18)19-5-3-4-6-20(19)37-2/h3-6,11,14,18,21H,7-10,12-13,15-16H2,1-2H3,(H2,30,34)/t21-/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	<10	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 2 (Homo sapiens (Human))	BDBM496971 (US10995099, Example 61) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC(O)=O)CC1)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C29H31N3O8S/c1-17-23-26(35)32(29(9-10-29)15-22(33)34)28(36)31(27(23)41-24(17)25-30-11-14-39-25)16-21(40-18-7-12-38-13-8-18)19-5-3-4-6-20(19)37-2/h3-6,11,14,18,21H,7-10,12-13,15-16H2,1-2H3,(H,33,34)/t21-/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	<10	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 2 (Homo sapiens (Human))	BDBM496921 (US10995099, Example 53) Show SMILES CNC(=O)C1(CCC1)n1c(=O)n(CC(OC2CCOCC2)c2ccccc2OC)c2sc(c(C)c2c1=O)-c1ncco1 Show InChI InChI=1S/C30H34N4O7S/c1-18-23-26(35)34(30(11-6-12-30)28(36)31-2)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-4-5-8-21(20)38-3/h4-5,7-8,13,16,19,22H,6,9-12,14-15,17H2,1-3H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 2 (Homo sapiens (Human))	BDBM496915 (US10995099, Example 49) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC1)C(O)=O)-n1nccn1)OC1CCOCC1 |r| Show InChI InChI=1S/C27H29N5O7S/c1-16-21-22(33)31(27(9-10-27)25(34)35)26(36)30(24(21)40-23(16)32-28-11-12-29-32)15-20(39-17-7-13-38-14-8-17)18-5-3-4-6-19(18)37-2/h3-6,11-12,17,20H,7-10,13-15H2,1-2H3,(H,34,35)/t20-/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	<10	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 2 (Homo sapiens (Human))	BDBM496914 (US10995099, Example 48) Show SMILES COc1ccccc1C(Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CCCC1)C(N)=O)OC1CCOCC1 Show InChI InChI=1S/C27H32BrN3O6S/c1-16-21-23(32)31(27(25(29)33)11-5-6-12-27)26(34)30(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-3-4-8-19(18)35-2/h3-4,7-8,17,20H,5-6,9-15H2,1-2H3,(H2,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 2 (Homo sapiens (Human))	BDBM496910 (US10995099, Example 45) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC1)C(O)=O)-n1cccn1)OC1CCOCC1 |r| Show InChI InChI=1S/C28H30N4O7S/c1-17-22-23(33)32(28(10-11-28)26(34)35)27(36)30(25(22)40-24(17)31-13-5-12-29-31)16-21(39-18-8-14-38-15-9-18)19-6-3-4-7-20(19)37-2/h3-7,12-13,18,21H,8-11,14-16H2,1-2H3,(H,34,35)/t21-/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	<10	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 2 (Homo sapiens (Human))	BDBM496905 (US10995099, Example 43) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCCC1)C(N)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C30H34N4O7S/c1-18-23-26(35)34(30(28(31)36)11-5-6-12-30)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-3-4-8-21(20)38-2/h3-4,7-8,13,16,19,22H,5-6,9-12,14-15,17H2,1-2H3,(H2,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<10	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 2 (Homo sapiens (Human))	BDBM496903 (US10995099, Example 41) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC1)C(=O)NS(C)(=O)=O)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C29H32N4O9S2/c1-17-22-25(34)33(29(10-11-29)27(35)31-44(3,37)38)28(36)32(26(22)43-23(17)24-30-12-15-41-24)16-21(42-18-8-13-40-14-9-18)19-6-4-5-7-20(19)39-2/h4-7,12,15,18,21H,8-11,13-14,16H2,1-3H3,(H,31,35)/t21-/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	<10	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<10	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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))	BDBM496970 (US10995099, Example 60) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CC(N)=O)CC1)OC1CCOCC1 |r| Show InChI InChI=1S/C26H30BrN3O6S/c1-15-21-23(32)30(26(9-10-26)13-20(28)31)25(33)29(24(21)37-22(15)27)14-19(36-16-7-11-35-12-8-16)17-5-3-4-6-18(17)34-2/h3-6,16,19H,7-14H2,1-2H3,(H2,28,31)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM496968 (US10995099, Example 58) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CC1)C(N)=O)OC1CCOCC1 |r| Show InChI InChI=1S/C25H28BrN3O6S/c1-14-19-21(30)29(25(9-10-25)23(27)31)24(32)28(22(19)36-20(14)26)13-18(35-15-7-11-34-12-8-15)16-5-3-4-6-17(16)33-2/h3-6,15,18H,7-13H2,1-2H3,(H2,27,31)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM496971 (US10995099, Example 61) Show SMILES COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CC(O)=O)CC1)-c1ncco1)OC1CCOCC1 |r| Show InChI InChI=1S/C29H31N3O8S/c1-17-23-26(35)32(29(9-10-29)15-22(33)34)28(36)31(27(23)41-24(17)25-30-11-14-39-25)16-21(40-18-7-12-38-13-8-18)19-5-3-4-6-20(19)37-2/h3-6,11,14,18,21H,7-10,12-13,15-16H2,1-2H3,(H,33,34)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM496917 (US10995099, Example 51) Show SMILES COc1ccccc1C(Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CCC1)C(N)=O)OC1CCOCC1 Show InChI InChI=1S/C26H30BrN3O6S/c1-15-20-22(31)30(26(24(28)32)10-5-11-26)25(33)29(23(20)37-21(15)27)14-19(36-16-8-12-35-13-9-16)17-6-3-4-7-18(17)34-2/h3-4,6-7,16,19H,5,8-14H2,1-2H3,(H2,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM496969 (US10995099, Example 59) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CC(O)=O)CC1)OC1CCOCC1 |r| Show InChI InChI=1S/C26H29BrN2O7S/c1-15-21-23(32)29(26(9-10-26)13-20(30)31)25(33)28(24(21)37-22(15)27)14-19(36-16-7-11-35-12-8-16)17-5-3-4-6-18(17)34-2/h3-6,16,19H,7-14H2,1-2H3,(H,30,31)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM496918 (US10995099, Example 52) Show SMILES CNC(=O)C1(CCC1)n1c(=O)n(CC(OC2CCOCC2)c2ccccc2OC)c2sc(Br)c(C)c2c1=O Show InChI InChI=1S/C27H32BrN3O6S/c1-16-21-23(32)31(27(11-6-12-27)25(33)29-2)26(34)30(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-4-5-8-19(18)35-3/h4-5,7-8,17,20H,6,9-15H2,1-3H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM496977 (US10995099, Example 67) Show SMILES COC(=O)C1(CCC1)n1c(=O)n(C[C@H](OC2CCOCC2)c2ccccc2OC)c2sc(Br)c(C)c2c1=O |r| Show InChI InChI=1S/C27H31BrN2O7S/c1-16-21-23(31)30(27(11-6-12-27)25(32)35-3)26(33)29(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-4-5-8-19(18)34-2/h4-5,7-8,17,20H,6,9-15H2,1-3H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>50	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))	BDBM496978 (US10995099, Example 68) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C(C)(C)C(=O)OC(C)(C)C)OC1CCOCC1 |r| Show InChI InChI=1S/C29H37BrN2O7S/c1-17-22-24(33)32(29(5,6)26(34)39-28(2,3)4)27(35)31(25(22)40-23(17)30)16-21(38-18-12-14-37-15-13-18)19-10-8-9-11-20(19)36-7/h8-11,18,21H,12-16H2,1-7H3/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	>50	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 2 (Homo sapiens (Human))	BDBM496918 (US10995099, Example 52) Show SMILES CNC(=O)C1(CCC1)n1c(=O)n(CC(OC2CCOCC2)c2ccccc2OC)c2sc(Br)c(C)c2c1=O Show InChI InChI=1S/C27H32BrN3O6S/c1-16-21-23(32)31(27(11-6-12-27)25(33)29-2)26(34)30(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-4-5-8-19(18)35-3/h4-5,7-8,17,20H,6,9-15H2,1-3H3,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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 2 (Homo sapiens (Human))	BDBM496964 (US10995099, Example 54) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C1(CCC1)C(N)=O)-c1ncco1)OC1CCOCC1 Show InChI InChI=1S/C29H32N4O7S/c1-17-22-25(34)33(29(27(30)35)10-5-11-29)28(36)32(26(22)41-23(17)24-31-12-15-39-24)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,(H2,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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 2 (Homo sapiens (Human))	BDBM496968 (US10995099, Example 58) Show SMILES COc1ccccc1[C@H](Cn1c2sc(Br)c(C)c2c(=O)n(c1=O)C1(CC1)C(N)=O)OC1CCOCC1 |r| Show InChI InChI=1S/C25H28BrN3O6S/c1-14-19-21(30)29(25(9-10-25)23(27)31)24(32)28(22(19)36-20(14)26)13-18(35-15-7-11-34-12-8-15)16-5-3-4-6-17(16)33-2/h3-6,15,18H,7-13H2,1-2H3,(H2,27,31)/t18-/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	55	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

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