Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'zhang' and Initial = 'jt'   

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
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50470518 (CHEMBL4294523) Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2c(Cl)cccc2Cl)c1=O Show InChI InChI=1S/C17H12BrCl2NO2/c1-21-15-7-5-10(18)9-12(17(15)23)16(22)8-6-11-13(19)3-2-4-14(11)20/h2-9H,1H3,(H,21,23)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...				Eur J Med Chem 157: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2018.08.037 BindingDB Entry DOI: 10.7270/Q27M0BNN
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50470513 (CHEMBL4290712) Show SMILES CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Br)cc2)c1=O Show InChI InChI=1S/C18H15Br2NO2/c1-2-21-16-9-8-14(20)11-15(18(16)23)17(22)10-5-12-3-6-13(19)7-4-12/h3-11H,2H2,1H3,(H,21,23)/b10-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...				Eur J Med Chem 157: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2018.08.037 BindingDB Entry DOI: 10.7270/Q27M0BNN
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50470517 (CHEMBL4294114) Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C17H13BrClNO2/c1-20-15-7-6-12(18)10-14(17(15)22)16(21)8-5-11-3-2-4-13(19)9-11/h2-10H,1H3,(H,20,22)/b8-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...				Eur J Med Chem 157: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2018.08.037 BindingDB Entry DOI: 10.7270/Q27M0BNN
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50470512 (CHEMBL1416382) Show SMILES CN=c1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1O Show InChI InChI=1S/C17H12BrCl2NO2/c1-21-15-6-4-11(18)8-13(17(15)23)16(22)7-3-10-2-5-12(19)9-14(10)20/h2-9H,1H3,(H,21,23)/b7-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...				Eur J Med Chem 157: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2018.08.037 BindingDB Entry DOI: 10.7270/Q27M0BNN
					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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00642 BindingDB Entry DOI: 10.7270/Q24J0K3R
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50470515 (CHEMBL4291509) Show SMILES CC(=O)Nc1ccc(cc1)N1C(=O)\C(=C\c2ccc(Cl)cc2)C=C1c1ccccc1 |c:24| Show InChI InChI=1S/C25H19ClN2O2/c1-17(29)27-22-11-13-23(14-12-22)28-24(19-5-3-2-4-6-19)16-20(25(28)30)15-18-7-9-21(26)10-8-18/h2-16H,1H3,(H,27,29)/b20-15+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...				Eur J Med Chem 157: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2018.08.037 BindingDB Entry DOI: 10.7270/Q27M0BNN
					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	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
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50470514 (CHEMBL4283640) Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C17H13BrClNO2/c1-20-15-8-5-12(18)10-14(17(15)22)16(21)9-4-11-2-6-13(19)7-3-11/h2-10H,1H3,(H,20,22)/b9-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...				Eur J Med Chem 157: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2018.08.037 BindingDB Entry DOI: 10.7270/Q27M0BNN
					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
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50470516 (CHEMBL4282824) Show SMILES CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C19H15BrF3NO2/c1-2-24-16-9-8-14(20)11-15(18(16)26)17(25)10-5-12-3-6-13(7-4-12)19(21,22)23/h3-11H,2H2,1H3,(H,24,26)/b10-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...				Eur J Med Chem 157: 887-897 (2018) Article DOI: 10.1016/j.ejmech.2018.08.037 BindingDB Entry DOI: 10.7270/Q27M0BNN
					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