Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 10314   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM527015 (US11186587, Example 7) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(C)=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	2.23	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))	BDBM527076 (US11186587, Example 13) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)c2ccccn2)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	2.33	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))	BDBM527006 (US11186587, Example 6) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CNC2)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	2.81	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))	BDBM527541 (4-(1-(2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2ccc(cc2)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	3.06	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					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	3.56	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527067 (US11186587, Example 11) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)c2ccccc2)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	4.5	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 2 (Homo sapiens (Human))	BDBM527541 (4-(1-(2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-...) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2ccc(cc2)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.85	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527123 (US11186587, Example 16) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)N2CC(C)(O)C2)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	6.89	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527140 (US11186587, Example 17) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.66	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.85	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527547 (US11186587, Example 30) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cc(ccc2F)C(O)=O)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,;3.81,3.08,;5.19,3.82,;5.14,5.39,;3.81,6.16,;2.47,5.39,;1.14,6.16,;6.52,3.05,;6.52,1.51,;7.86,3.82,;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	7.97	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.03	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.04	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM526974 (US11186587, Example 2) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CC(F)(F)C2)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	8.70	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))	BDBM527122 (US11186587, Example 15) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)N2CC(C)(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	8.79	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 2 (Homo sapiens (Human))	BDBM527006 (US11186587, Example 6) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CNC2)c1=O)-c1ncco1)OC1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.64	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527540 (US11186587, Example 23) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CN(C1)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	11.5	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 2 (Homo sapiens (Human))	BDBM527076 (US11186587, Example 13) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(=O)c2ccccn2)c1=O)-c1ncco1)OC1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527544 (US11186587, Example 27) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2cc(ccc2OC)C(O)=O)c1=O)-c1ncco1)OC1CCOCC1 |(-2.86,-4.62,;-1.53,-3.85,;-.19,-4.62,;-.19,-6.16,;1.14,-6.93,;2.47,-6.16,;2.47,-4.62,;1.14,-3.85,;1.14,-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,;3.81,2.31,;5.19,3.05,;5.14,4.62,;3.81,5.39,;2.47,4.62,;1.14,5.39,;1.14,6.93,;6.52,2.28,;6.52,.74,;7.86,3.05,;1.14,.77,;2.47,,;-5.44,1.54,;-6.34,2.79,;-7.81,2.31,;-7.81,.77,;-6.34,.29,;2.47,-1.54,;3.81,-2.31,;3.81,-3.85,;5.14,-4.62,;6.47,-3.85,;6.47,-2.31,;5.14,-1.54,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.8	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 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM527015 (US11186587, Example 7) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CN(C2)C(C)=O)c1=O)-c1ncco1)OC1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 4.5 μL of 2.2×ACC2 enzyme (1.1 nM) working solution was added to a 384-well plate; and then 0.5 μL of different concentrations of compound ...				Citation and Details BindingDB Entry DOI: 10.7270/Q25H7KFV
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM527256 (US11186587, Example 19) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(O)=O)-c1ncco1)OC1CCN(C)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.3	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))	BDBM527005 (US11186587, Example 5) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(-c2c(C)ccn3ccnc23)c1=O)-c1ncco1)OC1CCOCC1 |(-2.19,-3.85,;-.86,-3.08,;.47,-3.85,;.47,-5.39,;1.81,-6.16,;3.14,-5.39,;3.14,-3.85,;1.81,-3.08,;1.81,-1.54,;.47,-.77,;.47,.77,;-.86,1.54,;-2.33,1.06,;-3.23,2.31,;-2.33,3.56,;-2.8,5.02,;-.86,3.08,;.47,3.85,;.47,5.39,;1.81,3.08,;3.14,3.85,;3.14,5.39,;1.81,6.16,;4.47,6.16,;5.81,5.39,;5.81,3.85,;6.95,2.82,;6.33,1.41,;4.79,1.57,;4.47,3.08,;1.81,1.54,;3.14,.77,;-4.77,2.31,;-5.68,3.56,;-7.14,3.08,;-7.14,1.54,;-5.68,1.06,;3.14,-.77,;4.47,-1.54,;4.47,-3.08,;5.81,-3.85,;7.14,-3.08,;7.14,-1.54,;5.81,-.77,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.5	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))	BDBM527548 (US11186587, Example 31) Show SMILES COc1ccccc1C(Cn1c2sc(c(C)c2c(=O)n(C2CC(C2)OCCF)c1=O)-c1ncco1)OC1CCOCC1 |(-3.8,-3.62,;-2.47,-2.85,;-1.14,-3.62,;-1.14,-5.16,;.2,-5.93,;1.53,-5.16,;1.53,-3.62,;.2,-2.85,;.2,-1.31,;-1.14,-.54,;-1.14,1,;-2.47,1.77,;-3.94,1.29,;-4.84,2.54,;-3.94,3.78,;-4.41,5.25,;-2.47,3.31,;-1.14,4.08,;-1.14,5.62,;.2,3.31,;1.53,4.08,;3.02,3.68,;3.42,5.16,;1.93,5.56,;4.75,5.93,;6.08,5.16,;7.42,5.93,;8.75,5.16,;.2,1.77,;1.53,1,;-6.38,2.54,;-7.29,3.78,;-8.75,3.31,;-8.75,1.77,;-7.29,1.29,;1.53,-.54,;2.86,-1.31,;2.86,-2.85,;4.2,-3.62,;5.53,-2.85,;5.53,-1.31,;4.2,-.54,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	136	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

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