Compile Data Set for Download or QSAR

Found 328 hits with Last Name = 'kamath' and Initial = 's'   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036694 ((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfany...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O Show InChI InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036698 ((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036691 ((E)-3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-hydro...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3s2)c1O Show InChI InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	347	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476357 (CHEMBL389930) Show SMILES OC(=O)C(=O)CC(=O)c1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C18H12O4/c19-16(10-17(20)18(21)22)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H,10H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036694 ((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-phenylsulfany...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O Show InChI InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036688 (2-[5-((E)-2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-m...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O Show InChI InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4313 ((2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O Show InChI InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)/b14-8+	PDB MMDB 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	501	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476341 (CHEMBL225681) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C20H12O4/c21-16(10-17(22)20(23)24)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)19(13)18(11)12/h1-9H,10H2,(H,23,24)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476348 (GSK-S-1360 | GW-810781 | Gw810781 | S 1360 | S-136...) Show SMILES O\C(=C/C(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[nH]n1 Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4306 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(2-phenylet...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O Show InChI InChI=1S/C18H16N2O3/c19-12-15(10-14-6-7-16(21)17(22)11-14)18(23)20-9-8-13-4-2-1-3-5-13/h1-7,10-11,21-22H,8-9H2,(H,20,23)/b15-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	617	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036686 ((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...) Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4303 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpr...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O Show InChI InChI=1S/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+	PDB MMDB 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	708	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036679 ((E)-2-Cyano-3-[4-hydroxy-3-methoxy-5-(pyridin-2-yl...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccn2)c1O Show InChI InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)/b12-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036688 (2-[5-((E)-2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-m...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2C(O)=O)c1O Show InChI InChI=1S/C19H16N2O5S/c1-26-15-8-11(6-12(9-20)18(21)23)7-13(17(15)22)10-27-16-5-3-2-4-14(16)19(24)25/h2-8,22H,10H2,1H3,(H2,21,23)(H,24,25)/b12-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036687 ((E)-3-(3-Benzylsulfanylmethyl-4-hydroxy-5-methoxy-...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2)c1O Show InChI InChI=1S/C19H18N2O3S/c1-24-17-9-14(7-15(10-20)19(21)23)8-16(18(17)22)12-25-11-13-5-3-2-4-6-13/h2-9,22H,11-12H2,1H3,(H2,21,23)/b15-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	891	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50409736 (CHEMBL140213) Show SMILES CC(C)(C)Oc1cc(C=C(C#N)C(N)=S)cc(c1O)C(C)(C)C |w:8.7| Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)13-8-11(7-12(10-19)16(20)23)9-14(15(13)21)22-18(4,5)6/h7-9,21H,1-6H3,(H2,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036698 ((E)-3-[3-(2-Chloro-benzylsulfanylmethyl)-4-hydroxy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-12(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-13-4-2-3-5-16(13)20/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036686 ((E)-3-(3-Benzylsulfanylmethyl-4,5-dihydroxy-phenyl...) Show SMILES NC(=O)C(=C\c1cc(O)c(O)c(CSCc2ccccc2)c1)\C#N Show InChI InChI=1S/C18H16N2O3S/c19-9-14(18(20)23)6-13-7-15(17(22)16(21)8-13)11-24-10-12-4-2-1-3-5-12/h1-8,21-22H,10-11H2,(H2,20,23)/b14-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4304 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O Show InChI InChI=1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+	PDB MMDB 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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50409861 (CHEMBL129486) Show SMILES Oc1nc(S)sc1NS(=O)(=O)c1ccc(cc1)-c1ncccn1 Show InChI InChI=1S/C13H10N4O3S3/c18-11-12(22-13(21)16-11)17-23(19,20)9-4-2-8(3-5-9)10-14-6-1-7-15-10/h1-7,17-18H,(H,16,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against DNA strand transfer by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036700 ((E)-3-[3-(Benzooxazol-2-ylsulfanylmethyl)-4-hydrox...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2nc3ccccc3o2)c1O Show InChI InChI=1S/C19H15N3O4S/c1-25-16-8-11(6-12(9-20)18(21)24)7-13(17(16)23)10-27-19-22-14-4-2-3-5-15(14)26-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036680 ((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-p-tolylsulfan...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O Show InChI InChI=1S/C19H18N2O3S/c1-12-3-5-16(6-4-12)25-11-15-8-13(7-14(10-20)19(21)23)9-17(24-2)18(15)22/h3-9,22H,11H2,1-2H3,(H2,21,23)/b14-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50409735 (CHEMBL143212) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2cccc3ccccc23)c1O Show InChI InChI=1S/C22H18N2O3S/c1-27-19-11-14(9-16(12-23)22(24)26)10-17(21(19)25)13-28-20-8-4-6-15-5-2-3-7-18(15)20/h2-11,25H,13H2,1H3,(H2,24,26)/b16-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476335 (CHEMBL226490) Show SMILES OC(=O)C(=O)CC(=O)c1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C18H12O4/c19-15(10-16(20)18(21)22)17-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17/h1-9H,10H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036680 ((E)-2-Cyano-3-(4-hydroxy-3-methoxy-5-p-tolylsulfan...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O Show InChI InChI=1S/C19H18N2O3S/c1-12-3-5-16(6-4-12)25-11-15-8-13(7-14(10-20)19(21)23)9-17(24-2)18(15)22/h3-9,22H,11H2,1-2H3,(H2,21,23)/b14-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50409738 (CHEMBL141175) Show SMILES COc1cc(\C=C(\C#N)C(N)=O)cc(CSCc2ccc(Cl)cc2)c1O Show InChI InChI=1S/C19H17ClN2O3S/c1-25-17-8-13(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-12-2-4-16(20)5-3-12/h2-8,23H,10-11H2,1H3,(H2,22,24)/b14-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4307 ((2E)-N-(2-chlorophenyl)-2-cyano-3-(3,4-dihydroxyph...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1O Show InChI InChI=1S/C16H11ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h1-8,20-21H,(H,19,22)/b11-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036689 (2-(4-Hydroxy-3-methoxy-5-phenylsulfanylmethyl-benz...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#6]-[#16]-c2ccccc2)c1-[#8] Show InChI InChI=1S/C18H14N2O2S/c1-22-17-9-13(7-14(10-19)11-20)8-15(18(17)21)12-23-16-5-3-2-4-6-16/h2-9,21H,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4302 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-[(1R)-1-phe...) Show SMILES C[C@@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 |r| Show InChI InChI=1S/C18H16N2O3/c1-12(14-5-3-2-4-6-14)20-18(23)15(11-19)9-13-7-8-16(21)17(22)10-13/h2-10,12,21-22H,1H3,(H,20,23)/b15-9+/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476351 (CHEMBL226485) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2ccc3ccccc3c2c1 Show InChI InChI=1S/C18H12O4/c19-16(10-17(20)18(21)22)13-8-7-12-6-5-11-3-1-2-4-14(11)15(12)9-13/h1-9H,10H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50409740 (CHEMBL143805) Show SMILES Oc1ccc(CNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1 Show InChI InChI=1S/C17H14N2O4/c18-9-13(7-12-3-6-15(21)16(22)8-12)17(23)19-10-11-1-4-14(20)5-2-11/h1-8,20-22H,10H2,(H,19,23)/b13-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476363 (CHEMBL226484) Show SMILES Cc1ccc2cc(ccc2c1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C15H12O4/c1-9-2-3-11-7-12(5-4-10(11)6-9)13(16)8-14(17)15(18)19/h2-7H,8H2,1H3,(H,18,19)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4298 ((2E)-3-(3,4-dihydroxyphenyl)-2-[(4-nitrophenyl)car...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(cc2)[N+]([O-])=O)cc1O Show InChI InChI=1S/C16H10N2O5/c17-9-12(7-10-1-6-14(19)15(20)8-10)16(21)11-2-4-13(5-3-11)18(22)23/h1-8,19-20H/b12-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50409740 (CHEMBL143805) Show SMILES Oc1ccc(CNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1 Show InChI InChI=1S/C17H14N2O4/c18-9-13(7-12-3-6-15(21)16(22)8-12)17(23)19-10-11-1-4-14(20)5-2-11/h1-8,20-22H,10H2,(H,19,23)/b13-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036702 ((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O Show InChI InChI=1S/C20H19N3O4S/c1-12(24)23-16-5-3-4-6-18(16)28-11-15-8-13(7-14(10-21)20(22)26)9-17(27-2)19(15)25/h3-9,25H,11H2,1-2H3,(H2,22,26)(H,23,24)/b14-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50036679 ((E)-2-Cyano-3-[4-hydroxy-3-methoxy-5-(pyridin-2-yl...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccn2)c1O Show InChI InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)/b12-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50409842 (CHEMBL340697) Show SMILES Cc1csc2ncn3c(NS(=O)(=O)c4cc(C)c(Cl)cc4S)nnc3c12 Show InChI InChI=1S/C15H12ClN5O2S3/c1-7-3-11(10(24)4-9(7)16)26(22,23)20-15-19-18-13-12-8(2)5-25-14(12)17-6-21(13)15/h3-6,24H,1-2H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against DNA strand transfer by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50409868 (CHEMBL130024) Show SMILES Cc1cc(c(S)cc1Cl)S(=O)(=O)NC(Nc1ccc(Cl)cc1)=NN |w:22.24| Show InChI InChI=1S/C14H14Cl2N4O2S2/c1-8-6-13(12(23)7-11(8)16)24(21,22)20-14(19-17)18-10-4-2-9(15)3-5-10/h2-7,23H,17H2,1H3,(H2,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against DNA strand transfer by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50409868 (CHEMBL130024) Show SMILES Cc1cc(c(S)cc1Cl)S(=O)(=O)NC(Nc1ccc(Cl)cc1)=NN |w:22.24| Show InChI InChI=1S/C14H14Cl2N4O2S2/c1-8-6-13(12(23)7-11(8)16)24(21,22)20-14(19-17)18-10-4-2-9(15)3-5-10/h2-7,23H,17H2,1H3,(H2,18,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against 3' processing by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50409842 (CHEMBL340697) Show SMILES Cc1csc2ncn3c(NS(=O)(=O)c4cc(C)c(Cl)cc4S)nnc3c12 Show InChI InChI=1S/C15H12ClN5O2S3/c1-7-3-11(10(24)4-9(7)16)26(22,23)20-15-19-18-13-12-8(2)5-25-14(12)17-6-21(13)15/h3-6,24H,1-2H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against 3' processing by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50409877 (CHEMBL338228) Show SMILES Cc1ccc(cc1)-n1cnnc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1S Show InChI InChI=1S/C22H17Cl2N5O3S2/c1-13-2-8-16(9-3-13)29-12-25-27-22(29)28-34(31,32)20-10-17(18(24)11-19(20)33)21(30)26-15-6-4-14(23)5-7-15/h2-12,33H,1H3,(H,26,30)(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against 3' processing by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50409877 (CHEMBL338228) Show SMILES Cc1ccc(cc1)-n1cnnc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(Cl)cc1S Show InChI InChI=1S/C22H17Cl2N5O3S2/c1-13-2-8-16(9-3-13)29-12-25-27-22(29)28-34(31,32)20-10-17(18(24)11-19(20)33)21(30)26-15-6-4-14(23)5-7-15/h2-12,33H,1H3,(H,26,30)(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against DNA strand transfer by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50409873 (CHEMBL129147) Show SMILES Cc1cc2nc3nc(N)nc(NS(=O)(=O)c4cc(C)c(Cl)cc4S)n3c2cc1C Show InChI InChI=1S/C18H17ClN6O2S2/c1-8-4-12-13(5-9(8)2)25-17(21-12)22-16(20)23-18(25)24-29(26,27)15-6-10(3)11(19)7-14(15)28/h4-7,28H,1-3H3,(H3,20,21,22,23,24)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory activity against DNA strand transfer by HIV integrase				J Med Chem 47: 385-99 (2004) Article DOI: 10.1021/jm030378i BindingDB Entry DOI: 10.7270/Q2M61MFX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4301 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...) Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50409737 (CHEMBL1161236) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#16]-[#6]-[#6](-[#8])=O)c1-[#8] Show InChI InChI=1S/C13H10N2O4S/c1-19-10-3-8(2-9(5-14)6-15)4-11(13(10)18)20-7-12(16)17/h2-4,18H,7H2,1H3,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50409735 (CHEMBL143212) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2cccc3ccccc23)c1O Show InChI InChI=1S/C22H18N2O3S/c1-27-19-11-14(9-16(12-23)22(24)26)10-17(21(19)25)13-28-20-8-4-6-15-5-2-3-7-18(15)20/h2-11,25H,13H2,1H3,(H2,24,26)/b16-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50476336 (CHEMBL375484) Show SMILES OC(=O)C(=O)CC(=O)c1ccc2c(ccc3ccccc23)c1 Show InChI InChI=1S/C18H12O4/c19-16(10-17(20)18(21)22)13-7-8-15-12(9-13)6-5-11-3-1-2-4-14(11)15/h1-9H,10H2,(H,21,22)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity				Bioorg Med Chem 15: 1212-28 (2007) Article DOI: 10.1016/j.bmc.2006.11.026 BindingDB Entry DOI: 10.7270/Q2CV4MHB
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM4314 ((2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(3,4-...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O Show InChI InChI=1S/C18H14N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,9-10,21-22H,7-8H2/b14-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4308 ((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbu...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1O Show InChI InChI=1S/C20H20N2O3/c21-14-17(12-16-9-10-18(23)19(24)13-16)20(25)22-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,23-24H,4-5,8,11H2,(H,22,25)/b17-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4293 ((2E)-3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphen...) Show SMILES Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity against epidermal growth factor receptor (EGFR)				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
					More data for this Ligand-Target Pair

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