Compile Data Set for Download or QSAR

Found 1542 hits with Last Name = 'zaharia' and Initial = 'ca'   

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
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50272192 (4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(1...) Show SMILES Cc1cc(ccc1O)-c1cc(nc(=O)[nH]1)-c1ccccc1 Show InChI InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383714 (CHEMBL2030402) Show SMILES Clc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 |r| Show InChI InChI=1S/C14H12ClN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383727 (CHEMBL2030389) Show SMILES Brc1ccc2oc3c(nc(CN4CCCC4)[nH]c3=O)c2c1 Show InChI InChI=1S/C15H14BrN3O2/c16-9-3-4-11-10(7-9)13-14(21-11)15(20)18-12(17-13)8-19-5-1-2-6-19/h3-4,7H,1-2,5-6,8H2,(H,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383736 (CHEMBL2030400) Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r| Show InChI InChI=1S/C14H11BrFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50383711 (CHEMBL2030387) Show SMILES N[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r| Show InChI InChI=1S/C15H15BrN4O2/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)19-12(18-13)7-20-4-3-9(17)6-20/h1-2,5,9H,3-4,6-7,17H2,(H,18,19,21)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383740 (CHEMBL2030405) Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3C[C@@H](F)CN3)c2c1 |r| Show InChI InChI=1S/C15H14FN3O3/c1-21-8-2-3-11-9(5-8)12-13(22-11)15(20)19-14(18-12)10-4-7(16)6-17-10/h2-3,5,7,10,17H,4,6H2,1H3,(H,18,19,20)/t7-,10+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383739 (CHEMBL2030404) Show SMILES F[C@H]1CN[C@@H](C1)c1nc2c3cc(Cl)ccc3oc2c(=O)[nH]1 |r| Show InChI InChI=1S/C14H11ClFN3O2/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)19-13(18-11)9-4-7(16)5-17-9/h1-3,7,9,17H,4-5H2,(H,18,19,20)/t7-,9+/m1/s1	PDB Reactome pathway 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
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383730 (CHEMBL2030393) Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 |r| Show InChI InChI=1S/C14H12BrN3O2/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9/h3-4,6,9,16H,1-2,5H2,(H,17,18,19)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
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))	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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383725 (CHEMBL2030386) Show SMILES O[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r| Show InChI InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					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))	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50383726 (CHEMBL2030388) Show SMILES N[C@@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r| Show InChI InChI=1S/C15H15BrN4O2/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)19-12(18-13)7-20-4-3-9(17)6-20/h1-2,5,9H,3-4,6-7,17H2,(H,18,19,21)/t9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus His-tagged human PIM1 expressed in Escherichia coli using AKRRRLSA as substrate after 1 to 2 hrs by chemiluminescence assay				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383738 (CHEMBL2030403) Show SMILES COc1ccc2oc3c(nc([nH]c3=O)[C@@H]3CCCN3)c2c1 |r| Show InChI InChI=1S/C15H15N3O3/c1-20-8-4-5-11-9(7-8)12-13(21-11)15(19)18-14(17-12)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3,(H,17,18,19)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383733 (CHEMBL2030396) Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CCNCC3)c2c1 Show InChI InChI=1S/C15H14BrN3O2/c16-9-1-2-11-10(7-9)12-13(21-11)15(20)19-14(18-12)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					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
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
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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383734 (CHEMBL2030398) Show SMILES CN1CCC[C@H]1c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r| Show InChI InChI=1S/C15H14BrN3O2/c1-19-6-2-3-10(19)14-17-12-9-7-8(16)4-5-11(9)21-13(12)15(20)18-14/h4-5,7,10H,2-3,6H2,1H3,(H,17,18,20)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383715 (CHEMBL2030376) Show SMILES O[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1 |r| Show InChI InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383712 (CHEMBL2030392) Show SMILES Brc1ccc2oc3c(nc([nH]c3=O)C3CNC3)c2c1 Show InChI InChI=1S/C13H10BrN3O2/c14-7-1-2-9-8(3-7)10-11(19-9)13(18)17-12(16-10)6-4-15-5-6/h1-3,6,15H,4-5H2,(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383713 (CHEMBL2030397) Show SMILES CC(N)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 Show InChI InChI=1S/C12H10BrN3O2/c1-5(14)11-15-9-7-4-6(13)2-3-8(7)18-10(9)12(17)16-11/h2-5H,14H2,1H3,(H,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					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))	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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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))	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))	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))	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))	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))	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))	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))	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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					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	n/a
Conforma Therapeutics Corporation					Assay Description FASN activity of the SKBr3 cell extract was determined by measuring either NADPH oxidation or the amount of thiol-containing coenzyme A (CoA) release...				J Med Chem 49: 5352-62 (2006) BindingDB Entry DOI: 10.7270/Q27M0B78
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50383735 (CHEMBL2030399) Show SMILES O[C@H]1CN[C@@H](C1)c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 |r| Show InChI InChI=1S/C14H12BrN3O3/c15-6-1-2-10-8(3-6)11-12(21-10)14(20)18-13(17-11)9-4-7(19)5-16-9/h1-3,7,9,16,19H,4-5H2,(H,17,18,20)/t7-,9+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Exelixis Curated by ChEMBL					Assay Description Inhibition of N-terminus Myc-tagged human CDC7 expressed in Escherichia coli by chemiluminescence assay in presence of ATP				Bioorg Med Chem Lett 22: 3727-31 (2012) Article DOI: 10.1016/j.bmcl.2012.04.024 BindingDB Entry DOI: 10.7270/Q20C4WS0
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM137319 (US8871790, 405) Show SMILES Cc1cc(C2CCC2)c(cc1C(=O)N1CCC(F)(CC1)c1ccc(cc1)C#N)-c1nc2CCOCc2[nH]1 Show InChI InChI=1S/C30H31FN4O2/c1-19-15-24(21-3-2-4-21)25(28-33-26-9-14-37-18-27(26)34-28)16-23(19)29(36)35-12-10-30(31,11-13-35)22-7-5-20(17-32)6-8-22/h5-8,15-16,21H,2-4,9-14,18H2,1H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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 US8871790 (2014) BindingDB Entry DOI: 10.7270/Q2PG1QD3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM137324 (US8871790, 410) Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(C(=O)N2CCC(F)(CC2)c2ccc(cc2)C#N)c(C)cc1C1CCC1 Show InChI InChI=1S/C32H34FN5O3/c1-20-16-25(22-4-3-5-22)26(29-35-27-10-13-38(31(40)41-2)19-28(27)36-29)17-24(20)30(39)37-14-11-32(33,12-15-37)23-8-6-21(18-34)7-9-23/h6-9,16-17,22H,3-5,10-15,19H2,1-2H3,(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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 US8871790 (2014) BindingDB Entry DOI: 10.7270/Q2PG1QD3
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM137333 (US8871790, 419) Show SMILES COC(=O)N1CCc2nc([nH]c2C1)-c1cc(ccc1C1CCC1)C(=O)N1CCC(CC1)c1ccc(cc1)C#N Show InChI InChI=1S/C31H33N5O3/c1-39-31(38)36-16-13-27-28(19-36)34-29(33-27)26-17-24(9-10-25(26)23-3-2-4-23)30(37)35-14-11-22(12-15-35)21-7-5-20(18-32)6-8-21/h5-10,17,22-23H,2-4,11-16,19H2,1H3,(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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 US8871790 (2014) BindingDB Entry DOI: 10.7270/Q2PG1QD3
					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))	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

Displayed 1 to 50 (of 1542 total )  |  Next  |  Last  >>

Jump to: