Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'fako' and Initial = 'v'   

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
Fatty acid synthase (Homo sapiens (Human))	BDBM50241343 ((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...) Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) Show SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC Show InChI InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50070208 (A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...) Show SMILES Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50070209 (Aciphex | CHEBI:8768 | LY-307640 | Rabeprazole) Show SMILES COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241343 ((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...) Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50241342 (5-(difluoromethoxy)-2-((3,4-dimethoxypyridin-2-yl)...) Show SMILES COc1ccnc(CS(=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC Show InChI InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50070208 (A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...) Show SMILES Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50070209 (Aciphex | CHEBI:8768 | LY-307640 | Rabeprazole) Show SMILES COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50070208 (A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...) Show SMILES Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FASN in human PANC1 cells assessed as inhibition of [14C]acetate incorporation preincubated for 4 hrs before [14C]acetate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM50070208 (A-65006 | AG-1749 | CHEBI:6375 | Lansoprazole | Pr...) Show SMILES Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FASN in human BxPC3 cells assessed as inhibition of [14C]acetate incorporation preincubated for 4 hrs before [14C]acetate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of FASN in human PANC1 cells assessed as inhibition of [14C]acetate incorporation preincubated for 4 hrs before [14C]acetate addition meas...				J Med Chem 58: 778-84 (2015) Article DOI: 10.1021/jm501543u BindingDB Entry DOI: 10.7270/Q20K2B7H
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM36363 (CID6851947 | PAC-1 | US10166229, Example PAC-1) Show SMILES Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM36364 (CID9543559 | De-ally PAC-1 | US10166229, Example d...) Show SMILES Oc1ccccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H24N4O2/c25-19-9-5-4-8-18(19)14-21-22-20(26)16-24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,14,25H,10-13,15-16H2,(H,22,26)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM36365 ((4-Benzylpiperazin-1-yl)-acetic acid benzylidene-h...) Show SMILES O=C(CN1CCN(Cc2ccccc2)CC1)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H24N4O/c25-20(22-21-15-18-7-3-1-4-8-18)17-24-13-11-23(12-14-24)16-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2,(H,22,25)/b21-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM312057 (US10166229, Example 00027) Show SMILES Oc1ccccc1\C=N\NC(=O)CN1CCNCC1 Show InChI InChI=1S/C13H18N4O2/c18-12-4-2-1-3-11(12)9-15-16-13(19)10-17-7-5-14-6-8-17/h1-4,9,14,18H,5-8,10H2,(H,16,19)/b15-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM36368 ((4-Benzylpiperazin-1-yl)-acetic acid hydrazide, 6 ...) Show SMILES NNC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C13H20N4O/c14-15-13(18)11-17-8-6-16(7-9-17)10-12-4-2-1-3-5-12/h1-5H,6-11,14H2,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM36369 ((4-Benzylpiperazin-1-yl)-acetic acid ethyl ester, ...) Show SMILES CCOC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C15H22N2O2/c1-2-19-15(18)13-17-10-8-16(9-11-17)12-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM36370 (CID207112 | Piperazin-1-yl-acetic acid ethyl ester...) Show SMILES CCOC(=O)CN1CCNCC1 Show InChI InChI=1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50125096 (1,4-Dibenzyl-piperazine | 1,4-Dibenzyl-piperazine,...) Show SMILES C(N1CCN(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C18H22N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h1-10H,11-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50004308 (1-Benzoylpiperazine | 1-Benzyl-piperazine | 1-Benz...) Show SMILES C(N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM312058 (US10166229, Example 00028) Show SMILES C\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C15H22N4O/c1-2-16-17-15(20)13-19-10-8-18(9-11-19)12-14-6-4-3-5-7-14/h2-7H,8-13H2,1H3,(H,17,20)/b16-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
The Board of Trustees of the University of Illinois US Patent					Assay Description Procaspase-3 was recombinantly expressed in E. coli with an N-terminal His-6 tag (SEQ ID NO: 29) and purified. Immunoblotting was performed with an a...				US Patent US10166229 (2019) BindingDB Entry DOI: 10.7270/Q24M96M1
					More data for this Ligand-Target Pair