Compile Data Set for Download or QSAR

Found 149 hits with Last Name = 'henegar' and Initial = 'k'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081645 (CHEMBL3422237) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1cc(C)no1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-4-15(24-22-9)14-5-10-7-25-16(20)21-17(10,8-23-14)12-3-2-11(18)6-13(12)19/h2-4,6,10,14H,5,7-8H2,1H3,(H2,20,21)/t10-,14+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136576 (US8865706, 16) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H20F2N4OS/c1-10-14-6-16(11-7-22-24(2)8-11)25-9-18(14,23-17(21)26-10)13-4-3-12(19)5-15(13)20/h3-5,7-8,10,14,16H,6,9H2,1-2H3,(H2,21,23)/t10-,14+,16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM41536 (US8865706, 15) Show SMILES Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13| Show InChI InChI=1S/C19H15F6N5O/c20-12-3-13(21)18(23)17(22)11(12)7-29-6-10(5-26-29)27-16(31)8-30-15(19(24)25)4-14(28-30)9-1-2-9/h3-6,9,19H,1-2,7-8H2,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081646 (CHEMBL3422236) Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@H](C2)c1nc(C)co1)c1ccc(F)cc1F |r,c:5| Show InChI InChI=1S/C17H17F2N3O2S/c1-9-6-23-15(21-9)14-4-10-7-25-16(20)22-17(10,8-24-14)12-3-2-11(18)5-13(12)19/h2-3,5-6,10,14H,4,7-8H2,1H3,(H2,20,22)/t10-,14+,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM148176 (US8962616, 22 | US8962616, 4) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1nc(C)co1)c1ccc(F)cc1F |r,c:4| Show InChI InChI=1S/C18H19F2N3O2S/c1-9-7-24-16(22-9)15-6-13-10(2)26-17(21)23-18(13,8-25-15)12-4-3-11(19)5-14(12)20/h3-5,7,10,13,15H,6,8H2,1-2H3,(H2,21,23)/t10-,13+,15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136570 (US8865706, 9) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365293 (CHEMBL1958374) Show SMILES Cc1nc2c(C)cc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C Show InChI InChI=1S/C24H29N5O3/c1-14-10-16(11-17-20(14)26-15(2)25-17)22(31)28-8-6-24(7-9-28)12-18(30)21-19(32-24)13-29(27-21)23(3,4)5/h10-11,13H,6-9,12H2,1-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365279 (CHEMBL1958360) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C Show InChI InChI=1S/C23H27N5O3/c1-14-9-15(10-16-12-24-25-19(14)16)21(30)27-7-5-23(6-8-27)11-17(29)20-18(31-23)13-28(26-20)22(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136583 (US8865706, 22) Show SMILES Cn1cc(cn1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15| Show InChI InChI=1S/C18H19F3N4OS/c1-25-8-10(7-23-25)15-5-13-16(6-19)27-17(22)24-18(13,9-26-15)12-3-2-11(20)4-14(12)21/h2-4,7-8,13,15-16H,5-6,9H2,1H3,(H2,22,24)/t13-,15+,16+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365279 (CHEMBL1958360) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C Show InChI InChI=1S/C23H27N5O3/c1-14-9-15(10-16-12-24-25-19(14)16)21(30)27-7-5-23(6-8-27)11-17(29)20-18(31-23)13-28(26-20)22(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365292 (CHEMBL1958373) Show SMILES Cc1cc(cc2[nH]cnc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C Show InChI InChI=1S/C23H27N5O3/c1-14-9-15(10-16-19(14)25-13-24-16)21(30)27-7-5-23(6-8-27)11-17(29)20-18(31-23)12-28(26-20)22(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365287 (CHEMBL1958368) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]cc(C)c4c3)CC2=O)c1C Show InChI InChI=1S/C24H28N4O3/c1-5-28-16(4)22-21(26-28)19(29)12-24(31-22)6-8-27(9-7-24)23(30)17-10-14(2)20-18(11-17)15(3)13-25-20/h10-11,13,25H,5-9,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365277 (CHEMBL1958359) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCCC1 Show InChI InChI=1S/C24H27N5O3/c1-15-10-16(11-17-13-25-26-21(15)17)23(31)28-8-6-24(7-9-28)12-19(30)22-20(32-24)14-29(27-22)18-4-2-3-5-18/h10-11,13-14,18H,2-9,12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365292 (CHEMBL1958373) Show SMILES Cc1cc(cc2[nH]cnc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C Show InChI InChI=1S/C23H27N5O3/c1-14-9-15(10-16-19(14)25-13-24-16)21(30)27-7-5-23(6-8-27)11-17(29)20-18(31-23)12-28(26-20)22(2,3)4/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365293 (CHEMBL1958374) Show SMILES Cc1nc2c(C)cc(cc2[nH]1)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C Show InChI InChI=1S/C24H29N5O3/c1-14-10-16(11-17-20(14)26-15(2)25-17)22(31)28-8-6-24(7-9-28)12-18(30)21-19(32-24)13-29(27-21)23(3,4)5/h10-11,13H,6-9,12H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50081642 (CHEMBL3422244) Show SMILES [H][C@@]12C[C@@H](OC[C@@]1(N=C(N)S[C@@H]2CF)c1ccc(F)cc1F)c1nc(C)co1 |r,t:8| Show InChI InChI=1S/C18H18F3N3O2S/c1-9-7-25-16(23-9)14-5-12-15(6-19)27-17(22)24-18(12,8-26-14)11-3-2-10(20)4-13(11)21/h2-4,7,12,14-15H,5-6,8H2,1H3,(H2,22,24)/t12-,14+,15+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365295 (CHEMBL1955896) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4nc[nH]c4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-12-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-15-16(10-14)24-13-23-15/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365284 (CHEMBL1958365) Show SMILES CCOc1cc(cc2c(C)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2 Show InChI InChI=1S/C24H29N5O4/c1-5-29-15(4)22-21(27-29)18(30)13-24(33-22)7-9-28(10-8-24)23(31)16-11-17-14(3)25-26-20(17)19(12-16)32-6-2/h11-12H,5-10,13H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365290 (CHEMBL1958371) Show SMILES CC(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c2n1 Show InChI InChI=1S/C23H27N5O3/c1-13(2)28-12-19-21(26-28)18(29)11-23(31-19)5-7-27(8-6-23)22(30)16-9-14(3)20-17(10-16)15(4)24-25-20/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365281 (CHEMBL1958362) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC2=O)c1C Show InChI InChI=1S/C23H27N5O3/c1-5-28-15(4)21-20(26-28)18(29)12-23(31-21)6-8-27(9-7-23)22(30)16-10-13(2)19-17(11-16)14(3)24-25-19/h10-11H,5-9,12H2,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365281 (CHEMBL1958362) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC2=O)c1C Show InChI InChI=1S/C23H27N5O3/c1-5-28-15(4)21-20(26-28)18(29)12-23(31-21)6-8-27(9-7-23)22(30)16-10-13(2)19-17(11-16)14(3)24-25-19/h10-11H,5-9,12H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365294 (CHEMBL1955895) Show SMILES Cn1ncc2ccc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C Show InChI InChI=1S/C23H27N5O3/c1-22(2,3)28-14-19-20(25-28)18(29)12-23(31-19)7-9-27(10-8-23)21(30)15-5-6-16-13-24-26(4)17(16)11-15/h5-6,11,13-14H,7-10,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365285 (CHEMBL1958366) Show SMILES CCOc1cc(cc2c(CC)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2 Show InChI InChI=1S/C25H31N5O4/c1-5-18-17-12-16(13-20(33-7-3)21(17)27-26-18)24(32)29-10-8-25(9-11-29)14-19(31)22-23(34-25)15(4)30(6-2)28-22/h12-13H,5-11,14H2,1-4H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365276 (CHEMBL1958358) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCC1 Show InChI InChI=1S/C23H25N5O3/c1-14-9-15(10-16-12-24-25-20(14)16)22(30)27-7-5-23(6-8-27)11-18(29)21-19(31-23)13-28(26-21)17-3-2-4-17/h9-10,12-13,17H,2-8,11H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365290 (CHEMBL1958371) Show SMILES CC(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC(=O)c2n1 Show InChI InChI=1S/C23H27N5O3/c1-13(2)28-12-19-21(26-28)18(29)11-23(31-19)5-7-27(8-6-23)22(30)16-9-14(3)20-17(10-16)15(4)24-25-20/h9-10,12-13H,5-8,11H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365277 (CHEMBL1958359) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCCC1 Show InChI InChI=1S/C24H27N5O3/c1-15-10-16(11-17-13-25-26-21(15)17)23(31)28-8-6-24(7-9-28)12-19(30)22-20(32-24)14-29(27-22)18-4-2-3-5-18/h10-11,13-14,18H,2-9,12H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136574 (US8865706, 13) Show SMILES Cc1cc(on1)[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:15| Show InChI InChI=1S/C18H18F3N3O2S/c1-9-4-15(26-24-9)14-6-12-16(7-19)27-17(22)23-18(12,8-25-14)11-3-2-10(20)5-13(11)21/h2-5,12,14,16H,6-8H2,1H3,(H2,22,23)/t12-,14+,16+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365276 (CHEMBL1958358) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCC1 Show InChI InChI=1S/C23H25N5O3/c1-14-9-15(10-16-12-24-25-20(14)16)22(30)27-7-5-23(6-8-27)11-18(29)21-19(31-23)13-28(26-21)17-3-2-4-17/h9-10,12-13,17H,2-8,11H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365295 (CHEMBL1955896) Show SMILES CC(C)(C)n1cc2OC3(CCN(CC3)C(=O)c3ccc4nc[nH]c4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-21(2,3)27-12-18-19(25-27)17(28)11-22(30-18)6-8-26(9-7-22)20(29)14-4-5-15-16(10-14)24-13-23-15/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365285 (CHEMBL1958366) Show SMILES CCOc1cc(cc2c(CC)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2 Show InChI InChI=1S/C25H31N5O4/c1-5-18-17-12-16(13-20(33-7-3)21(17)27-26-18)24(32)29-10-8-25(9-11-29)14-19(31)22-23(34-25)15(4)30(6-2)28-22/h12-13H,5-11,14H2,1-4H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365291 (CHEMBL1958372) Show SMILES Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(C3CCOC3)c(C)c1O2 Show InChI InChI=1S/C25H29N5O4/c1-14-10-17(11-19-15(2)26-27-21(14)19)24(32)29-7-5-25(6-8-29)12-20(31)22-23(34-25)16(3)30(28-22)18-4-9-33-13-18/h10-11,18H,4-9,12-13H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365291 (CHEMBL1958372) Show SMILES Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(C3CCOC3)c(C)c1O2 Show InChI InChI=1S/C25H29N5O4/c1-14-10-17(11-19-15(2)26-27-21(14)19)24(32)29-7-5-25(6-8-29)12-20(31)22-23(34-25)16(3)30(28-22)18-4-9-33-13-18/h10-11,18H,4-9,12-13H2,1-3H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365294 (CHEMBL1955895) Show SMILES Cn1ncc2ccc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C(C)(C)C Show InChI InChI=1S/C23H27N5O3/c1-22(2,3)28-14-19-20(25-28)18(29)12-23(31-19)7-9-27(10-8-23)21(30)15-5-6-16-13-24-26(4)17(16)11-15/h5-6,11,13-14H,7-10,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365274 (CHEMBL1958356) Show SMILES CC(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-13(2)27-12-18-20(25-27)17(28)10-22(30-18)4-6-26(7-5-22)21(29)15-8-14(3)19-16(9-15)11-23-24-19/h8-9,11-13H,4-7,10H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365274 (CHEMBL1958356) Show SMILES CC(C)n1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-13(2)27-12-18-20(25-27)17(28)10-22(30-18)4-6-26(7-5-22)21(29)15-8-14(3)19-16(9-15)11-23-24-19/h8-9,11-13H,4-7,10H2,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365284 (CHEMBL1958365) Show SMILES CCOc1cc(cc2c(C)n[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2 Show InChI InChI=1S/C24H29N5O4/c1-5-29-15(4)22-21(27-29)18(30)13-24(33-22)7-9-28(10-8-24)23(31)16-11-17-14(3)25-26-20(17)19(12-16)32-6-2/h11-12H,5-10,13H2,1-4H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM148173 (US8962616, 1) Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CS1)c1ncco1)c1ccc(F)cc1F |r,t:1| Show InChI InChI=1S/C16H15F2N3O2S/c17-10-1-2-11(12(18)6-10)16-8-23-13(14-20-3-4-22-14)5-9(16)7-24-15(19)21-16/h1-4,6,9,13H,5,7-8H2,(H2,19,21)/t9-,13+,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Biotin-GLTNIKTEEISEISYEVEFR-C[oregon green]KK-OH substrate assessed as fluorescence polarization by cell f...				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365272 (CHEMBL1958354) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC2=O)c1C Show InChI InChI=1S/C22H25N5O3/c1-4-27-14(3)20-19(25-27)17(28)11-22(30-20)5-7-26(8-6-22)21(29)15-9-13(2)18-16(10-15)12-23-24-18/h9-10,12H,4-8,11H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365280 (CHEMBL1958361) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3ccc4[nH]nc(C)c4c3)CC2=O)c1C Show InChI InChI=1S/C22H25N5O3/c1-4-27-14(3)20-19(25-27)18(28)12-22(30-20)7-9-26(10-8-22)21(29)15-5-6-17-16(11-15)13(2)23-24-17/h5-6,11H,4,7-10,12H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365287 (CHEMBL1958368) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]cc(C)c4c3)CC2=O)c1C Show InChI InChI=1S/C24H28N4O3/c1-5-28-16(4)22-21(26-28)19(29)12-24(31-22)6-8-27(9-7-24)23(30)17-10-14(2)20-18(11-17)15(3)13-25-20/h10-11,13,25H,5-9,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365283 (CHEMBL1958364) Show SMILES CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2 Show InChI InChI=1S/C23H27N5O3/c1-4-15-10-16(11-17-13-24-25-19(15)17)22(30)27-8-6-23(7-9-27)12-18(29)20-21(31-23)14(3)28(5-2)26-20/h10-11,13H,4-9,12H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365289 (CHEMBL1958370) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4nc(C)[nH]c4c3)CC2=O)c1C Show InChI InChI=1S/C23H27N5O3/c1-5-28-14(3)21-20(26-28)18(29)12-23(31-21)6-8-27(9-7-23)22(30)16-10-13(2)19-17(11-16)24-15(4)25-19/h10-11H,5-9,12H2,1-4H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136576 (US8865706, 16) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cnn(C)c1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H20F2N4OS/c1-10-14-6-16(11-7-22-24(2)8-11)25-9-18(14,23-17(21)26-10)13-4-3-12(19)5-15(13)20/h3-5,7-8,10,14,16H,6,9H2,1-2H3,(H2,21,23)/t10-,14+,16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells overexpressing wild type human APP695 assessed as colorimetric reaction by Whole cell assay				J Med Chem 58: 3223-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00191 BindingDB Entry DOI: 10.7270/Q29W0H68
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365282 (CHEMBL1958363) Show SMILES CCc1n[nH]c2ccc(cc12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2 Show InChI InChI=1S/C23H27N5O3/c1-4-17-16-12-15(6-7-18(16)25-24-17)22(30)27-10-8-23(9-11-27)13-19(29)20-21(31-23)14(3)28(5-2)26-20/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365283 (CHEMBL1958364) Show SMILES CCc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(CC)c(C)c1O2 Show InChI InChI=1S/C23H27N5O3/c1-4-15-10-16(11-17-13-24-25-19(15)17)22(30)27-8-6-23(7-9-27)12-18(29)20-21(31-23)14(3)28(5-2)26-20/h10-11,13H,4-9,12H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365272 (CHEMBL1958354) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC2=O)c1C Show InChI InChI=1S/C22H25N5O3/c1-4-27-14(3)20-19(25-27)17(28)11-22(30-20)5-7-26(8-6-22)21(29)15-9-13(2)18-16(10-15)12-23-24-18/h9-10,12H,4-8,11H2,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365280 (CHEMBL1958361) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3ccc4[nH]nc(C)c4c3)CC2=O)c1C Show InChI InChI=1S/C22H25N5O3/c1-4-27-14(3)20-19(25-27)18(28)12-22(30-20)7-9-26(10-8-22)21(29)15-5-6-17-16(11-15)13(2)23-24-17/h5-6,11H,4,7-10,12H2,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50365273 (CHEMBL1958355) Show SMILES CCCn1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-3-6-27-13-18-20(25-27)17(28)11-22(30-18)4-7-26(8-5-22)21(29)15-9-14(2)19-16(10-15)12-23-24-19/h9-10,12-13H,3-8,11H2,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Rattus norvegicus (Rat))	BDBM50365278 (CHEMBL1955891) Show SMILES Cc1cc(cc2cn[nH]c12)C(=O)N1CCC2(CC1)CC(=O)c1nn(cc1O2)C1CCCCC1 Show InChI InChI=1S/C25H29N5O3/c1-16-11-17(12-18-14-26-27-22(16)18)24(32)29-9-7-25(8-10-29)13-20(31)23-21(33-25)15-30(28-23)19-5-3-2-4-6-19/h11-12,14-15,19H,2-10,13H2,1H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM50314924 (6,7-dimethyl-1'-(7-methyl-1H-indazole-5-carbonyl)s...) Show SMILES Cc1cc2OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]ncc4c3)CC(=O)c2cc1C Show InChI InChI=1S/C24H25N3O3/c1-14-9-19-20(28)12-24(30-21(19)10-15(14)2)4-6-27(7-5-24)23(29)17-8-16(3)22-18(11-17)13-25-26-22/h8-11,13H,4-7,12H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair

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