Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'zheng' and Initial = 'qz'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308926 (4-(Bis(2-chloroethyl)amino)-N-(4-methoxyphenyl)ben...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C18H20Cl2N2O2/c1-24-17-8-4-15(5-9-17)21-18(23)14-2-6-16(7-3-14)22(12-10-19)13-11-20/h2-9H,10-13H2,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308944 (4-(Bis(2-chloroethyl)amino)-N-(1-naphthyl)benzamid...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C21H20Cl2N2O/c22-12-14-25(15-13-23)18-10-8-17(9-11-18)21(26)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308944 (4-(Bis(2-chloroethyl)amino)-N-(1-naphthyl)benzamid...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C21H20Cl2N2O/c22-12-14-25(15-13-23)18-10-8-17(9-11-18)21(26)24-20-7-3-5-16-4-1-2-6-19(16)20/h1-11H,12-15H2,(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308926 (4-(Bis(2-chloroethyl)amino)-N-(4-methoxyphenyl)ben...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C18H20Cl2N2O2/c1-24-17-8-4-15(5-9-17)21-18(23)14-2-6-16(7-3-14)22(12-10-19)13-11-20/h2-9H,10-13H2,1H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308927 (4-(Bis(2-chloroethyl)amino)-N-p-tolylbenzamide | C...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C18H20Cl2N2O/c1-14-2-6-16(7-3-14)21-18(23)15-4-8-17(9-5-15)22(12-10-19)13-11-20/h2-9H,10-13H2,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308925 (4-(Bis(2-chloroethyl)amino)-N-(4-isopropylphenyl)b...) Show SMILES CC(C)c1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C20H24Cl2N2O/c1-15(2)16-3-7-18(8-4-16)23-20(25)17-5-9-19(10-6-17)24(13-11-21)14-12-22/h3-10,15H,11-14H2,1-2H3,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50482070 (CHEMBL1089130) Show SMILES CC(CNC(=O)c1ccccc1O)\N=C\c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C17H16Cl2N2O3/c1-10(8-21-17(24)13-4-2-3-5-15(13)22)20-9-11-6-12(18)7-14(19)16(11)23/h2-7,9-10,22-23H,8H2,1H3,(H,21,24)/b20-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	844	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481264 (CHEMBL595491) Show SMILES Oc1ccc(Br)cc1\C=N\CCCNC(=O)c1ccccc1O Show InChI InChI=1S/C17H17BrN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	874	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308933 (4-(Bis(2-chloroethyl)amino)-N-(4-bromophenyl)benza...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C17H17BrCl2N2O/c18-14-3-5-15(6-4-14)21-17(23)13-1-7-16(8-2-13)22(11-9-19)12-10-20/h1-8H,9-12H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50482064 (CHEMBL1090240) Show SMILES CC(CNC(=O)c1ccc(C)cc1O)\N=C\c1cc(I)ccc1O Show InChI InChI=1S/C18H19IN2O3/c1-11-3-5-15(17(23)7-11)18(24)21-9-12(2)20-10-13-8-14(19)4-6-16(13)22/h3-8,10,12,22-23H,9H2,1-2H3,(H,21,24)/b20-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481254 (CHEMBL593880) Show SMILES Oc1ccccc1C(=O)NCC\N=C\c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C16H14Br2N2O3/c17-11-7-10(15(22)13(18)8-11)9-19-5-6-20-16(23)12-3-1-2-4-14(12)21/h1-4,7-9,21-22H,5-6H2,(H,20,23)/b19-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481255 (CHEMBL611011) Show SMILES Oc1ccc(I)cc1\C=N\CCCCNC(=O)c1ccccc1O Show InChI InChI=1S/C18H19IN2O3/c19-14-7-8-16(22)13(11-14)12-20-9-3-4-10-21-18(24)15-5-1-2-6-17(15)23/h1-2,5-8,11-12,22-23H,3-4,9-10H2,(H,21,24)/b20-12+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308932 (4-(Bis(2-chloroethyl)amino)-N-(4-chlorophenyl)benz...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H17Cl3N2O/c18-9-11-22(12-10-19)16-7-1-13(2-8-16)17(23)21-15-5-3-14(20)4-6-15/h1-8H,9-12H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308931 (4-(Bis(2-chloroethyl)amino)-N-(4-fluorophenyl)benz...) Show SMILES Fc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C17H17Cl2FN2O/c18-9-11-22(12-10-19)16-7-1-13(2-8-16)17(23)21-15-5-3-14(20)4-6-15/h1-8H,9-12H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50482083 (CHEMBL1089129) Show SMILES CC(CNC(=O)c1ccccc1O)\N=C\c1cc(I)ccc1O Show InChI InChI=1S/C17H17IN2O3/c1-11(19-10-12-8-13(18)6-7-15(12)21)9-20-17(23)14-4-2-3-5-16(14)22/h2-8,10-11,21-22H,9H2,1H3,(H,20,23)/b19-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308927 (4-(Bis(2-chloroethyl)amino)-N-p-tolylbenzamide | C...) Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C18H20Cl2N2O/c1-14-2-6-16(7-3-14)21-18(23)15-4-8-17(9-5-15)22(12-10-19)13-11-20/h2-9H,10-13H2,1H3,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50330811 (2-Chloro-5-[[(5-(o-hydroxyl-p-methoxyphenyl)-1,3,4...) Show SMILES COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)c(O)c1 Show InChI InChI=1S/C15H12ClN3O3S/c1-21-10-3-4-11(12(20)6-10)14-18-19-15(22-14)23-8-9-2-5-13(16)17-7-9/h2-7,20H,8H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SGC7901 cells by TRAP assay				Bioorg Med Chem 18: 7836-41 (2010) Article DOI: 10.1016/j.bmc.2010.09.051 BindingDB Entry DOI: 10.7270/Q2930TDR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308925 (4-(Bis(2-chloroethyl)amino)-N-(4-isopropylphenyl)b...) Show SMILES CC(C)c1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C20H24Cl2N2O/c1-15(2)16-3-7-18(8-4-16)23-20(25)17-5-9-19(10-6-17)24(13-11-21)14-12-22/h3-10,15H,11-14H2,1-2H3,(H,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50105463 (2,7-diamino-10-ethyl-9-phenylphenanthridinium brom...) Show SMILES CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SGC7901 cells by TRAP assay				Bioorg Med Chem 18: 7836-41 (2010) Article DOI: 10.1016/j.bmc.2010.09.051 BindingDB Entry DOI: 10.7270/Q2930TDR
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308933 (4-(Bis(2-chloroethyl)amino)-N-(4-bromophenyl)benza...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C17H17BrCl2N2O/c18-14-3-5-15(6-4-14)21-17(23)13-1-7-16(8-2-13)22(11-9-19)12-10-20/h1-8H,9-12H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481265 (CHEMBL592923) Show SMILES Oc1ccc(I)cc1\C=N\CCNC(=O)c1ccccc1O Show InChI InChI=1S/C16H15IN2O3/c17-12-5-6-14(20)11(9-12)10-18-7-8-19-16(22)13-3-1-2-4-15(13)21/h1-6,9-10,20-21H,7-8H2,(H,19,22)/b18-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308932 (4-(Bis(2-chloroethyl)amino)-N-(4-chlorophenyl)benz...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H17Cl3N2O/c18-9-11-22(12-10-19)16-7-1-13(2-8-16)17(23)21-15-5-3-14(20)4-6-15/h1-8H,9-12H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481262 (CHEMBL595041) Show SMILES Oc1ccc(I)cc1\C=N\CCCNC(=O)c1ccccc1O Show InChI InChI=1S/C17H17IN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308931 (4-(Bis(2-chloroethyl)amino)-N-(4-fluorophenyl)benz...) Show SMILES Fc1ccc(NC(=O)c2ccc(cc2)N(CCCl)CCCl)cc1 Show InChI InChI=1S/C17H17Cl2FN2O/c18-9-11-22(12-10-19)16-7-1-13(2-8-16)17(23)21-15-5-3-14(20)4-6-15/h1-8H,9-12H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50330812 (2-Chloro-5-[[(5-(naphth-1-yl)-1,3,4-oxadiazol-2-yl...) Show SMILES Clc1ccc(CSc2nnc(o2)-c2cccc3ccccc23)cn1 Show InChI InChI=1S/C18H12ClN3OS/c19-16-9-8-12(10-20-16)11-24-18-22-21-17(23-18)15-7-3-5-13-4-1-2-6-14(13)15/h1-10H,11H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase in human SGC7901 cells by TRAP assay				Bioorg Med Chem 18: 7836-41 (2010) Article DOI: 10.1016/j.bmc.2010.09.051 BindingDB Entry DOI: 10.7270/Q2930TDR
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50482081 (CHEMBL1091179) Show SMILES CC(CNC(=O)c1ccccc1O)\N=C\c1cc(I)cc(I)c1O Show InChI InChI=1S/C17H16I2N2O3/c1-10(8-21-17(24)13-4-2-3-5-15(13)22)20-9-11-6-12(18)7-14(19)16(11)23/h2-7,9-10,22-23H,8H2,1H3,(H,21,24)/b20-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50482065 (CHEMBL1091660) Show SMILES CC(CNC(=O)c1ccc(C)cc1O)\N=C\c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C18H18Cl2N2O3/c1-10-3-4-14(16(23)5-10)18(25)22-8-11(2)21-9-12-6-13(19)7-15(20)17(12)24/h3-7,9,11,23-24H,8H2,1-2H3,(H,22,25)/b21-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481256 (CHEMBL610486) Show SMILES Oc1ccc(Cl)cc1\C=N\CCCNC(=O)c1ccccc1O Show InChI InChI=1S/C17H17ClN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481257 (CHEMBL594579) Show SMILES Oc1ccc(F)cc1\C=N\CCCNC(=O)c1ccccc1O Show InChI InChI=1S/C17H17FN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481276 (CHEMBL596191) Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C18H18Br2N2O3/c19-13-9-12(17(24)15(20)10-13)11-21-7-3-4-8-22-18(25)14-5-1-2-6-16(14)23/h1-2,5-6,9-11,23-24H,3-4,7-8H2,(H,22,25)/b21-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481266 (CHEMBL609272) Show SMILES Oc1ccc(Cl)cc1\C=N\CCCCNC(=O)c1ccccc1O Show InChI InChI=1S/C18H19ClN2O3/c19-14-7-8-16(22)13(11-14)12-20-9-3-4-10-21-18(24)15-5-1-2-6-17(15)23/h1-2,5-8,11-12,22-23H,3-4,9-10H2,(H,21,24)/b20-12+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50482071 (CHEMBL1091178) Show SMILES CC(CNC(=O)c1ccccc1O)\N=C\c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C17H16Br2N2O3/c1-10(8-21-17(24)13-4-2-3-5-15(13)22)20-9-11-6-12(18)7-14(19)16(11)23/h2-7,9-10,22-23H,8H2,1H3,(H,21,24)/b20-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481258 (CHEMBL592924) Show SMILES Oc1ccccc1C(=O)NCC\N=C\c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C16H14Cl2N2O3/c17-11-7-10(15(22)13(18)8-11)9-19-5-6-20-16(23)12-3-1-2-4-14(12)21/h1-4,7-9,21-22H,5-6H2,(H,20,23)/b19-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481278 (CHEMBL594149) Show SMILES Oc1ccccc1C(=O)NCCC\N=C\c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C17H16Cl2N2O3/c18-12-8-11(16(23)14(19)9-12)10-20-6-3-7-21-17(24)13-4-1-2-5-15(13)22/h1-2,4-5,8-10,22-23H,3,6-7H2,(H,21,24)/b20-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308930 (4-(Bis(2-chloroethyl)amino)-N-(2-bromophenyl)benza...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccccc1Br Show InChI InChI=1S/C17H17BrCl2N2O/c18-15-3-1-2-4-16(15)21-17(23)13-5-7-14(8-6-13)22(11-9-19)12-10-20/h1-8H,9-12H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481267 (CHEMBL596190) Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C18H18Cl2N2O3/c19-13-9-12(17(24)15(20)10-13)11-21-7-3-4-8-22-18(25)14-5-1-2-6-16(14)23/h1-2,5-6,9-11,23-24H,3-4,7-8H2,(H,22,25)/b21-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481268 (CHEMBL596423) Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1c(O)ccc2ccccc12 Show InChI InChI=1S/C22H22N2O3/c25-20-10-4-3-9-18(20)22(27)24-14-6-5-13-23-15-19-17-8-2-1-7-16(17)11-12-21(19)26/h1-4,7-12,15,25-26H,5-6,13-14H2,(H,24,27)/b23-15+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481237 (CHEMBL594093) Show SMILES Oc1ccccc1C(=O)NCCC\N=C\c1c(O)ccc2ccccc12 Show InChI InChI=1S/C21H20N2O3/c24-19-9-4-3-8-17(19)21(26)23-13-5-12-22-14-18-16-7-2-1-6-15(16)10-11-20(18)25/h1-4,6-11,14,24-25H,5,12-13H2,(H,23,26)/b22-14+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481259 (CHEMBL593441) Show SMILES Oc1ccc(Cl)cc1\C=N\CCNC(=O)c1ccccc1O Show InChI InChI=1S/C16H15ClN2O3/c17-12-5-6-14(20)11(9-12)10-18-7-8-19-16(22)13-3-1-2-4-15(13)21/h1-6,9-10,20-21H,7-8H2,(H,19,22)/b18-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308929 (4-(Bis(2-chloroethyl)amino)-N-(2-chlorophenyl)benz...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C17H17Cl3N2O/c18-9-11-22(12-10-19)14-7-5-13(6-8-14)17(23)21-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308930 (4-(Bis(2-chloroethyl)amino)-N-(2-bromophenyl)benza...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccccc1Br Show InChI InChI=1S/C17H17BrCl2N2O/c18-15-3-1-2-4-16(15)21-17(23)13-5-7-14(8-6-13)22(11-9-19)12-10-20/h1-8H,9-12H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481239 (CHEMBL596422) Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1cc(I)cc(I)c1O Show InChI InChI=1S/C18H18I2N2O3/c19-13-9-12(17(24)15(20)10-13)11-21-7-3-4-8-22-18(25)14-5-1-2-6-16(14)23/h1-2,5-6,9-11,23-24H,3-4,7-8H2,(H,22,25)/b21-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50482087 (CHEMBL1091941) Show SMILES CC(CNC(=O)c1ccc(C)cc1O)\N=C\c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C18H18Br2N2O3/c1-10-3-4-14(16(23)5-10)18(25)22-8-11(2)21-9-12-6-13(19)7-15(20)17(12)24/h3-7,9,11,23-24H,8H2,1-2H3,(H,22,25)/b21-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308928 (4-(Bis(2-chloroethyl)amino)-N-(2-fluorophenyl)benz...) Show SMILES Fc1ccccc1NC(=O)c1ccc(cc1)N(CCCl)CCCl Show InChI InChI=1S/C17H17Cl2FN2O/c18-9-11-22(12-10-19)14-7-5-13(6-8-14)17(23)21-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481240 (CHEMBL594110) Show SMILES Oc1ccccc1C(=O)NCCCCCC\N=C\c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C20H22Br2N2O3/c21-15-11-14(19(26)17(22)12-15)13-23-9-5-1-2-6-10-24-20(27)16-7-3-4-8-18(16)25/h3-4,7-8,11-13,25-26H,1-2,5-6,9-10H2,(H,24,27)/b23-13+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50308929 (4-(Bis(2-chloroethyl)amino)-N-(2-chlorophenyl)benz...) Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)Nc1ccccc1Cl Show InChI InChI=1S/C17H17Cl3N2O/c18-9-11-22(12-10-19)14-7-5-13(6-8-14)17(23)21-16-4-2-1-3-15(16)20/h1-8H,9-12H2,(H,21,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA				Bioorg Med Chem 18: 880-6 (2010) Article DOI: 10.1016/j.bmc.2009.11.037 BindingDB Entry DOI: 10.7270/Q2WH2Q3N
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50482066 (CHEMBL1091943) Show SMILES CC(CNC(=O)c1ccc(C)cc1O)\N=C\c1c(O)ccc2ccccc12 Show InChI InChI=1S/C22H22N2O3/c1-14-7-9-18(21(26)11-14)22(27)24-12-15(2)23-13-19-17-6-4-3-5-16(17)8-10-20(19)25/h3-11,13,15,25-26H,12H2,1-2H3,(H,24,27)/b23-13+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481263 (CHEMBL594150) Show SMILES Oc1ccccc1C(=O)NCCC\N=C\c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C17H16Br2N2O3/c18-12-8-11(16(23)14(19)9-12)10-20-6-3-7-21-17(24)13-4-1-2-5-15(13)22/h1-2,4-5,8-10,22-23H,3,6-7H2,(H,21,24)/b20-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair

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