Compile Data Set for Download or QSAR

Found 405 hits with Last Name = 'wagman' and Initial = 'as'   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185219 ((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(quinu...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(4.27,-32.71,;5.6,-33.48,;5.6,-35.02,;6.93,-35.79,;8.27,-35.03,;9.61,-35.79,;10.95,-35.01,;12.28,-35.78,;10.94,-33.46,;12.27,-32.69,;13.68,-33.32,;14.7,-32.18,;16.24,-32.18,;17.02,-30.84,;16.23,-29.5,;14.69,-29.51,;13.93,-30.84,;12.43,-31.16,;9.59,-32.69,;9.59,-31.15,;8.64,-29.94,;8.36,-28.54,;7.01,-27.94,;5.55,-28.58,;5.74,-29.96,;7.27,-29.3,;7.53,-27.41,;7.08,-26.31,;8.26,-33.47,;6.93,-32.71,)| Show InChI InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185221 ((S)-3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(quinu...) Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(17.38,-9.04,;18.71,-9.81,;18.71,-11.36,;20.04,-12.13,;21.38,-11.36,;22.72,-12.13,;24.06,-11.35,;25.39,-12.12,;24.05,-9.8,;25.38,-9.02,;26.79,-9.65,;27.81,-8.51,;29.35,-8.51,;30.13,-7.17,;29.34,-5.83,;27.8,-5.84,;27.04,-7.17,;25.54,-7.5,;22.7,-9.02,;22.7,-7.48,;21.75,-6.27,;21.47,-4.88,;20.12,-4.28,;18.65,-4.92,;18.85,-6.3,;20.38,-5.64,;20.64,-3.75,;20.19,-2.64,;21.37,-9.81,;20.04,-9.04,)| Show InChI InChI=1S/C24H25N5O/c1-14-6-7-17-16(12-14)22(25-20-13-29-10-8-15(20)9-11-29)21(24(30)28-17)23-26-18-4-2-3-5-19(18)27-23/h2-7,12,15,20H,8-11,13H2,1H3,(H,26,27)(H2,25,28,30)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185218 ((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrro...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@H]3CCNC3)c2c1 Show InChI InChI=1S/C20H18ClN5O/c21-11-5-6-14-13(9-11)18(23-12-7-8-22-10-12)17(20(27)26-14)19-24-15-3-1-2-4-16(15)25-19/h1-6,9,12,22H,7-8,10H2,(H,24,25)(H2,23,26,27)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50313013 (CHEMBL1080901 | CT-98024 | N2-(2-(4-(2,4-dichlorop...) Show SMILES Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O Show InChI InChI=1S/C20H17Cl2N9O2/c21-11-1-2-12(14(22)9-11)17-13(19-25-6-7-26-19)10-28-20(30-17)27-8-5-24-16-4-3-15(31(32)33)18(23)29-16/h1-4,6-7,9-10H,5,8H2,(H,25,26)(H3,23,24,29)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotin-CREB peptide substrate after 1 hr by scintillation counting method				J Med Chem 60: 8482-8514 (2017) Article DOI: 10.1021/acs.jmedchem.7b00922 BindingDB Entry DOI: 10.7270/Q25T3NW3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50243389 (CHEMBL3185148) Show SMILES Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O Show InChI InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotin-CREB peptide substrate after 1 hr by scintillation counting method				J Med Chem 60: 8482-8514 (2017) Article DOI: 10.1021/acs.jmedchem.7b00922 BindingDB Entry DOI: 10.7270/Q25T3NW3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185217 (3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(piperidin...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCCNC3)c2c1 Show InChI InChI=1S/C21H20ClN5O/c22-12-7-8-15-14(10-12)19(24-13-4-3-9-23-11-13)18(21(28)27-15)20-25-16-5-1-2-6-17(16)26-20/h1-2,5-8,10,13,23H,3-4,9,11H2,(H,25,26)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185224 (3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(piperidin...) Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCCNC3)c2c1 Show InChI InChI=1S/C22H23N5O/c1-13-8-9-16-15(11-13)20(24-14-5-4-10-23-12-14)19(22(28)27-16)21-25-17-6-2-3-7-18(17)26-21/h2-3,6-9,11,14,23H,4-5,10,12H2,1H3,(H,25,26)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185220 (3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(piperidin...) Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1 Show InChI InChI=1S/C22H23N5O/c1-13-6-7-16-15(12-13)20(24-14-8-10-23-11-9-14)19(22(28)27-16)21-25-17-4-2-3-5-18(17)26-21/h2-7,12,14,23H,8-11H2,1H3,(H,25,26)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185216 (3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(piperidin...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1 Show InChI InChI=1S/C21H20ClN5O/c22-12-5-6-15-14(11-12)19(24-13-7-9-23-10-8-13)18(21(28)27-15)20-25-16-3-1-2-4-17(16)26-20/h1-6,11,13,23H,7-10H2,(H,25,26)(H2,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50325983 (6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...) Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotin-CREB peptide substrate after 1 hr by scintillation counting method				J Med Chem 60: 8482-8514 (2017) Article DOI: 10.1021/acs.jmedchem.7b00922 BindingDB Entry DOI: 10.7270/Q25T3NW3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid synthase (Homo sapiens (Human))	BDBM244437 (US10226449, cpd 46 | US9428502, 46) Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H23ClN4O/c1-15-3-6-20(13-21(15)22-23(25)28-16(2)27-22)24(30)29-11-9-19(10-12-29)18-7-4-17(14-26)5-8-18/h3-8,13,19H,9-12H2,1-2H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244404 (US10226449, cpd 13 | US9428502, 13) Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H22ClFN4O/c1-15-3-6-18(13-20(15)21-22(25)29-16(2)28-21)23(31)30-11-9-24(26,10-12-30)19-7-4-17(14-27)5-8-19/h3-8,13H,9-12H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244398 (US10226449, cpd 7 | US9428502, 7) Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C22H19ClN4O/c1-13-3-6-17(9-19(13)20-21(23)26-14(2)25-20)22(28)27-11-18(12-27)16-7-4-15(10-24)5-8-16/h3-9,18H,11-12H2,1-2H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244435 (US10226449, cpd 44 | US9428502, 44) Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CC1)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H21ClN4O/c1-14-2-5-18(10-20(14)21-22(25)28-23(27-21)17-8-9-17)24(30)29-12-19(13-29)16-6-3-15(11-26)4-7-16/h2-7,10,17,19H,8-9,12-13H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50243389 (CHEMBL3185148) Show SMILES Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O Show InChI InChI=1S/C20H17Cl2N9O2/c21-12-1-2-13(14(22)9-12)18-16(30-8-7-24-11-30)10-27-20(29-18)26-6-5-25-17-4-3-15(31(32)33)19(23)28-17/h1-4,7-11H,5-6H2,(H3,23,25,28)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human GSK3alpha using biotin-CREB peptide substrate after 1 hr by scintillation counting method				J Med Chem 60: 8482-8514 (2017) Article DOI: 10.1021/acs.jmedchem.7b00922 BindingDB Entry DOI: 10.7270/Q25T3NW3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244438 (US10226449, cpd 47 | US9428502, 47) Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C26H25ClN4O/c1-16-2-5-21(14-22(16)23-24(27)30-25(29-23)20-8-9-20)26(32)31-12-10-19(11-13-31)18-6-3-17(15-28)4-7-18/h2-7,14,19-20H,8-13H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185226 ((R)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrro...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CCNC3)c2c1 Show InChI InChI=1S/C20H18ClN5O/c21-11-5-6-14-13(9-11)18(23-12-7-8-22-10-12)17(20(27)26-14)19-24-15-3-1-2-4-16(15)25-19/h1-6,9,12,22H,7-8,10H2,(H,24,25)(H2,23,26,27)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185215 ((S)-3-(1H-benzo[d]imidazol-2-yl)-4-(quinuclidin-3-...) Show SMILES O=c1[nH]c2ccccc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 |wU:11.11,TLB:10:11:15.14:17.18,(-2.4,-12.59,;-3.74,-11.82,;-5.08,-12.6,;-6.42,-11.83,;-7.76,-12.6,;-9.09,-11.83,;-9.09,-10.28,;-7.76,-9.51,;-6.43,-10.28,;-5.09,-9.49,;-5.1,-7.95,;-6.05,-6.74,;-6.33,-5.35,;-7.68,-4.75,;-9.14,-5.39,;-8.95,-6.77,;-7.42,-6.11,;-7.16,-4.22,;-7.61,-3.11,;-3.75,-10.27,;-2.41,-9.49,;-1.01,-10.12,;.01,-8.98,;1.56,-8.98,;2.33,-7.64,;1.54,-6.3,;0,-6.31,;-.76,-7.64,;-2.26,-7.97,)| Show InChI InChI=1S/C23H23N5O/c29-23-20(22-25-17-7-3-4-8-18(17)26-22)21(15-5-1-2-6-16(15)27-23)24-19-13-28-11-9-14(19)10-12-28/h1-8,14,19H,9-13H2,(H,25,26)(H2,24,27,29)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 16: 3121-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.059 BindingDB Entry DOI: 10.7270/Q2765DXT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50325983 (6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidaz...) Show SMILES Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H18Cl2N8/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human GSK3alpha using biotin-CREB peptide substrate after 1 hr by scintillation counting method				J Med Chem 60: 8482-8514 (2017) Article DOI: 10.1021/acs.jmedchem.7b00922 BindingDB Entry DOI: 10.7270/Q25T3NW3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244581 (US10226449, cpd 190 | US9428502, 190) Show SMILES COC(=O)N1CC(C1)c1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C27H27N5O3/c1-16-4-7-20(26(33)31-12-21(13-31)19-8-5-18(11-28)6-9-19)10-23(16)24-17(2)29-25(30-24)22-14-32(15-22)27(34)35-3/h4-10,21-22H,12-15H2,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244439 (US10226449, cpd 48 | US9428502, 48) Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CC1)C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C26H24ClFN4O/c1-16-2-5-19(14-21(16)22-23(27)31-24(30-22)18-6-7-18)25(33)32-12-10-26(28,11-13-32)20-8-3-17(15-29)4-9-20/h2-5,8-9,14,18H,6-7,10-13H2,1H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244743 (US10226449, cpd 353 | US9428502, 353) Show SMILES Cc1ccc(cc1-c1[nH]c(CCO)nc1Cl)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H21ClN4O2/c1-14-2-5-17(10-19(14)21-22(24)27-20(26-21)8-9-29)23(30)28-12-18(13-28)16-6-3-15(11-25)4-7-16/h2-7,10,18,29H,8-9,12-13H2,1H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244632 (US10226449, cpd 241 | US9428502, 241) Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CCOCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C26H25ClN4O2/c1-16-2-5-20(26(32)31-14-21(15-31)18-6-3-17(13-28)4-7-18)12-22(16)23-24(27)30-25(29-23)19-8-10-33-11-9-19/h2-7,12,19,21H,8-11,14-15H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244575 (US10226449, cpd 184 | US9428502, 184) Show SMILES COC(=O)N1CCC(CC1)c1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C29H31N5O3/c1-18-4-7-23(28(35)34-16-24(17-34)21-8-5-20(15-30)6-9-21)14-25(18)26-19(2)31-27(32-26)22-10-12-33(13-11-22)29(36)37-3/h4-9,14,22,24H,10-13,16-17H2,1-3H3,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244440 (US10226449, cpd 49 | US9428502, 49) Show SMILES CC(C)c1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C26H27ClN4O/c1-16(2)25-29-23(24(27)30-25)22-14-21(7-4-17(22)3)26(32)31-12-10-20(11-13-31)19-8-5-18(15-28)6-9-19/h4-9,14,16,20H,10-13H2,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244769 (US10226449, cpd 381 | US9428502, 381) Show SMILES CO[C@H]1CC[C@@H](CC1)c1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:5.8,wD:2.1,(-12.26,3.14,;-11.49,1.8,;-9.95,1.8,;-9.18,.47,;-7.64,.47,;-6.87,1.8,;-7.64,3.14,;-9.18,3.14,;-5.33,1.8,;-4.43,3.05,;-2.93,2.6,;-2.96,1.03,;-4.43,.56,;-1.63,.26,;-.29,1.03,;1.04,.26,;1.04,-1.28,;-.29,-2.05,;-1.63,-1.28,;-2.96,-2.05,;2.37,1.03,;2.37,2.57,;3.71,.26,;4.11,-1.22,;5.59,-.83,;5.19,.66,;6.93,-1.6,;6.93,-3.14,;8.26,-3.91,;9.64,-3.16,;9.59,-1.6,;8.26,-.83,;10.98,-3.93,;12.31,-4.7,;-1.68,3.5,;-.44,4.41,;-2.59,4.75,;-.78,2.26,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244418 (US10226449, cpd 27 | US9428502, 27) Show SMILES COCc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C25H25ClN4O2/c1-16-3-6-20(13-21(16)23-24(26)29-22(28-23)15-32-2)25(31)30-11-9-19(10-12-30)18-7-4-17(14-27)5-8-18/h3-8,13,19H,9-12,15H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244436 (US10226449, cpd 45 | US9428502, 45) Show SMILES CC(C)c1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H23ClN4O/c1-14(2)23-27-21(22(25)28-23)20-10-18(7-4-15(20)3)24(30)29-12-19(13-29)17-8-5-16(11-26)6-9-17/h4-10,14,19H,12-13H2,1-3H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244629 (US10226449, cpd 238 | US9428502, 238) Show SMILES Cc1ccc(cc1-c1[nH]c(nc1CO)C1CC1)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C25H24N4O2/c1-15-2-5-19(10-21(15)23-22(14-30)27-24(28-23)18-8-9-18)25(31)29-12-20(13-29)17-6-3-16(11-26)4-7-17/h2-7,10,18,20,30H,8-9,12-14H2,1H3,(H,27,28)	PDB MMDB 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	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244595 (US10226449, cpd 204 | US9428502, 204) Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CC1)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C25H21N5O/c1-15-2-5-19(10-21(15)23-22(12-27)28-24(29-23)18-8-9-18)25(31)30-13-20(14-30)17-6-3-16(11-26)4-7-17/h2-7,10,18,20H,8-9,13-14H2,1H3,(H,28,29)	PDB MMDB 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	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244396 (US10226449, cpd 5 | US9428502, 5) Show SMILES Cc1nc(C)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H22N4O/c1-14-4-7-19(10-21(14)22-15(2)25-16(3)26-22)23(28)27-12-20(13-27)18-8-5-17(11-24)6-9-18/h4-10,20H,12-13H2,1-3H3,(H,25,26)	PDB MMDB 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	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244722 (US10226449, cpd 332 | US9428502, 332) Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCC(O)CC1 |(-2.01,4.01,;-3.35,3.24,;-4.81,3.72,;-5.72,2.47,;-4.81,1.22,;-3.35,1.7,;-2.01,.93,;-.68,1.7,;.65,.93,;.65,-.61,;-.68,-1.38,;-2.01,-.61,;-3.35,-1.38,;1.99,1.7,;1.99,3.24,;3.32,.93,;3.72,-.56,;5.21,-.16,;4.81,1.33,;6.54,-.93,;6.54,-2.47,;7.88,-3.24,;9.26,-2.5,;9.21,-.93,;7.88,-.16,;10.59,-3.27,;11.92,-4.04,;-7.26,2.47,;-8.03,3.8,;-9.57,3.8,;-10.34,2.47,;-11.88,2.47,;-9.57,1.14,;-8.03,1.14,)| Show InChI InChI=1S/C28H30N4O2/c1-17-3-6-22(28(34)32-15-23(16-32)20-7-4-19(14-29)5-8-20)13-25(17)26-18(2)30-27(31-26)21-9-11-24(33)12-10-21/h3-8,13,21,23-24,33H,9-12,15-16H2,1-2H3,(H,30,31)	PDB MMDB 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	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244422 (US10226449, cpd 31 | US9428502, 31) Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(C(=O)N2CC(C2)c2ccc(cc2)C#N)c(C)cc1C Show InChI InChI=1S/C23H21ClN4O/c1-13-8-14(2)20(9-19(13)21-22(24)27-15(3)26-21)23(29)28-11-18(12-28)17-6-4-16(10-25)5-7-17/h4-9,18H,11-12H2,1-3H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244752 (US10226449, cpd 362 | US9428502, 362) Show SMILES COCCc1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C25H23F3N4O2/c1-15-3-6-18(24(33)32-13-19(14-32)17-7-4-16(12-29)5-8-17)11-20(15)22-23(25(26,27)28)31-21(30-22)9-10-34-2/h3-8,11,19H,9-10,13-14H2,1-2H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244742 (US10226449, cpd 352 | US9428502, 352) Show SMILES Cc1ccc(cc1-c1[nH]c(CCO)nc1C(F)(F)F)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H21F3N4O2/c1-14-2-5-17(10-19(14)21-22(24(25,26)27)30-20(29-21)8-9-32)23(33)31-12-18(13-31)16-6-3-15(11-28)4-7-16/h2-7,10,18,32H,8-9,12-13H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244624 (US10226449, cpd 233 | US9428502, 233) Show SMILES Cc1nc(CCC#N)[nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C25H23N5O/c1-16-5-8-20(12-22(16)24-17(2)28-23(29-24)4-3-11-26)25(31)30-14-21(15-30)19-9-6-18(13-27)7-10-19/h5-10,12,21H,3-4,14-15H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244602 (US10226449, cpd 211 | US9428502, 211) Show SMILES Cc1ccc(cc1-c1[nH]c(nc1C#N)C1CCOCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C27H25N5O2/c1-17-2-5-21(27(33)32-15-22(16-32)19-6-3-18(13-28)4-7-19)12-23(17)25-24(14-29)30-26(31-25)20-8-10-34-11-9-20/h2-7,12,20,22H,8-11,15-16H2,1H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244568 (US10226449, cpd 177 | US9428502, 177) Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1(C)COC1 Show InChI InChI=1S/C26H26N4O2/c1-16-4-7-20(10-22(16)23-17(2)28-25(29-23)26(3)14-32-15-26)24(31)30-12-21(13-30)19-8-5-18(11-27)6-9-19/h4-10,21H,12-15H2,1-3H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244563 (US10226449, cpd 172 | US9428502, 172) Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCOC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244559 (US10226449, cpd 168 | US9428502, 168) Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1CCOCC1 Show InChI InChI=1S/C27H28N4O2/c1-17-3-6-22(27(32)31-15-23(16-31)20-7-4-19(14-28)5-8-20)13-24(17)25-18(2)29-26(30-25)21-9-11-33-12-10-21/h3-8,13,21,23H,9-12,15-16H2,1-2H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244758 (US10226449, cpd 368 | US9428502, 368) Show SMILES Cc1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(F)(C1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C23H18F4N4O/c1-13-3-6-16(9-18(13)19-20(23(25,26)27)30-14(2)29-19)21(32)31-11-22(24,12-31)17-7-4-15(10-28)5-8-17/h3-9H,11-12H2,1-2H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244750 (US10226449, cpd 360 | US9428502, 360) Show SMILES COCc1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C24H21F3N4O2/c1-14-3-6-17(9-19(14)21-22(24(25,26)27)30-20(29-21)13-33-2)23(32)31-11-18(12-31)16-7-4-15(10-28)5-8-16/h3-9,18H,11-13H2,1-2H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244618 (US10226449, cpd 227 | US9428502, 227) Show SMILES Cc1nc(CCO)[nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H24N4O2/c1-15-3-6-19(11-21(15)23-16(2)26-22(27-23)9-10-29)24(30)28-13-20(14-28)18-7-4-17(12-25)5-8-18/h3-8,11,20,29H,9-10,13-14H2,1-2H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244772 (US10226449, cpd 384 | US9428502, 384) Show SMILES Cc1nc(C)c([nH]1)-c1cc(ccc1N1CCCC1)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C26H27N5O/c1-17-25(29-18(2)28-17)23-13-21(9-10-24(23)30-11-3-4-12-30)26(32)31-15-22(16-31)20-7-5-19(14-27)6-8-20/h5-10,13,22H,3-4,11-12,15-16H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244760 (US10226449, cpd 370 | US9428502, 370) Show SMILES Cc1nc(c([nH]1)-c1cc(C(=O)N2CC(F)(C2)c2ccc(cc2)C#N)c(C)cc1C)C(F)(F)F Show InChI InChI=1S/C24H20F4N4O/c1-13-8-14(2)19(9-18(13)20-21(24(26,27)28)31-15(3)30-20)22(33)32-11-23(25,12-32)17-6-4-16(10-29)5-7-17/h4-9H,11-12H2,1-3H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244423 (US10226449, cpd 32 | US9428502, 32) Show SMILES Cc1nc(Cl)c([nH]1)-c1cc(C(=O)N2CCC(CC2)c2ccc(cc2)C#N)c(C)cc1C Show InChI InChI=1S/C25H25ClN4O/c1-15-12-16(2)22(13-21(15)23-24(26)29-17(3)28-23)25(31)30-10-8-20(9-11-30)19-6-4-18(14-27)5-7-19/h4-7,12-13,20H,8-11H2,1-3H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244434 (US10226449, cpd 43 | US9428502, 43) Show SMILES Cc1ccc(cc1-c1[nH]c(nc1Cl)C1CC1)C(=O)N1CC(F)(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H20ClFN4O/c1-14-2-5-17(10-19(14)20-21(25)29-22(28-20)16-6-7-16)23(31)30-12-24(26,13-30)18-8-3-15(11-27)4-9-18/h2-5,8-10,16H,6-7,12-13H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244586 (US10226449, cpd 195 | US9428502, 195) Show SMILES Cc1nc([nH]c1-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C1(O)CCOCC1 Show InChI InChI=1S/C27H28N4O3/c1-17-3-6-21(25(32)31-15-22(16-31)20-7-4-19(14-28)5-8-20)13-23(17)24-18(2)29-26(30-24)27(33)9-11-34-12-10-27/h3-8,13,22,33H,9-12,15-16H2,1-2H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244751 (US10226449, cpd 361 | US9428502, 361) Show SMILES COCCc1nc(Cl)c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C24H23ClN4O2/c1-15-3-6-18(11-20(15)22-23(25)28-21(27-22)9-10-31-2)24(30)29-13-19(14-29)17-7-4-16(12-26)5-8-17/h3-8,11,19H,9-10,13-14H2,1-2H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM244768 (US10226449, cpd 380 | US9428502, 380) Show SMILES CO[C@H]1CC[C@H](CC1)c1nc(c([nH]1)-c1cc(ccc1C)C(=O)N1CC(C1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:5.8,2.1,(-12.26,3.14,;-11.49,1.8,;-9.95,1.8,;-9.18,3.14,;-7.64,3.14,;-6.87,1.8,;-7.64,.47,;-9.18,.47,;-5.33,1.8,;-4.43,3.05,;-2.93,2.6,;-2.96,1.03,;-4.43,.56,;-1.63,.26,;-.29,1.03,;1.04,.26,;1.04,-1.28,;-.29,-2.05,;-1.63,-1.28,;-2.96,-2.05,;2.37,1.03,;2.37,2.57,;3.71,.26,;4.11,-1.22,;5.59,-.83,;5.19,.66,;6.93,-1.6,;6.93,-3.14,;8.26,-3.91,;9.64,-3.16,;9.59,-1.6,;8.26,-.83,;10.98,-3.93,;12.31,-4.7,;-1.68,3.5,;-.44,4.41,;-2.59,4.75,;-.78,2.26,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	4
3-V Biosciences, Inc. US Patent					Assay Description The FASN enzyme was isolated from SKBr3 cells. SKBr3 is a human breast cancer cell-line with high levels of FASN expression. It is estimated that FAS...				US Patent US9428502 (2016) BindingDB Entry DOI: 10.7270/Q20G3J23
					More data for this Ligand-Target Pair

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