Compile Data Set for Download or QSAR

Found 324 hits with Last Name = 'yang' and Initial = 'ys'   

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
Serine/threonine-protein kinase B-raf (Mus musculus)	BDBM50468557 (CHEMBL4294787) Show SMILES S=C(Nc1ccccc1)N1N=C(CC1c1ccc2OCCOc2c1)c1ccc(OCc2ccccc2)cc1 |c:11| Show InChI InChI=1S/C31H27N3O3S/c38-31(32-25-9-5-2-6-10-25)34-28(24-13-16-29-30(19-24)36-18-17-35-29)20-27(33-34)23-11-14-26(15-12-23)37-21-22-7-3-1-4-8-22/h1-16,19,28H,17-18,20-21H2,(H,32,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...				Eur J Med Chem 155: 725-735 (2018) Article DOI: 10.1016/j.ejmech.2018.06.043 BindingDB Entry DOI: 10.7270/Q2639SF8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Mus musculus)	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...				Eur J Med Chem 155: 725-735 (2018) Article DOI: 10.1016/j.ejmech.2018.06.043 BindingDB Entry DOI: 10.7270/Q2639SF8
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350681 (CHEMBL1813771) Show SMILES C1COc2cc(ccc2O1)-c1nnc(o1)-c1cccnc1 Show InChI InChI=1S/C15H11N3O3/c1-2-11(9-16-5-1)15-18-17-14(21-15)10-3-4-12-13(8-10)20-7-6-19-12/h1-5,8-9H,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427225 (CHEMBL2325101) Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9| Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Mus musculus)	BDBM50468570 (CHEMBL4290513) Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:8| Show InChI InChI=1S/C24H20BrN3O2S/c25-18-9-6-16(7-10-18)20-15-21(17-8-11-22-23(14-17)30-13-12-29-22)28(27-20)24(31)26-19-4-2-1-3-5-19/h1-11,14,21H,12-13,15H2,(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...				Eur J Med Chem 155: 725-735 (2018) Article DOI: 10.1016/j.ejmech.2018.06.043 BindingDB Entry DOI: 10.7270/Q2639SF8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Mus musculus)	BDBM50468565 (CHEMBL4277125) Show SMILES COc1cccc(c1)C1=NN(C(C1)c1ccc2OCCOc2c1)C(=S)Nc1ccccc1 |t:9| Show InChI InChI=1S/C25H23N3O3S/c1-29-20-9-5-6-17(14-20)21-16-22(18-10-11-23-24(15-18)31-13-12-30-23)28(27-21)25(32)26-19-7-3-2-4-8-19/h2-11,14-15,22H,12-13,16H2,1H3,(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...				Eur J Med Chem 155: 725-735 (2018) Article DOI: 10.1016/j.ejmech.2018.06.043 BindingDB Entry DOI: 10.7270/Q2639SF8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427226 (CHEMBL2325100) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350680 (CHEMBL1813770) Show SMILES C1COc2cc(ccc2O1)-c1nnc(\C=C\c2ccccc2)o1 Show InChI InChI=1S/C18H14N2O3/c1-2-4-13(5-3-1)6-9-17-19-20-18(23-17)14-7-8-15-16(12-14)22-11-10-21-15/h1-9,12H,10-11H2/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350683 (CHEMBL1813764) Show SMILES Cc1ccccc1-c1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H14N2O3/c1-11-4-2-3-5-13(11)17-19-18-16(22-17)12-6-7-14-15(10-12)21-9-8-20-14/h2-7,10H,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427227 (CHEMBL2325092) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9| Show InChI InChI=1S/C26H22N2O/c1-29-22-16-14-20(15-17-22)25-18-26(28(27-25)21-10-3-2-4-11-21)24-13-7-9-19-8-5-6-12-23(19)24/h2-17,26H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427233 (CHEMBL2325097) Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19ClN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50350684 (CHEMBL1813769) Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H18N2O6/c1-22-15-9-12(10-16(23-2)17(15)24-3)19-21-20-18(27-19)11-4-5-13-14(8-11)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of iNOS in mouse RAW264.7 cells assessed as conversion of L-citrulline to L-arginine incubated for 30 mins by scintillation counting				Bioorg Med Chem 19: 4895-902 (2011) Article DOI: 10.1016/j.bmc.2011.06.061 BindingDB Entry DOI: 10.7270/Q23T9HK2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427231 (CHEMBL2325099) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9| Show InChI InChI=1S/C26H22N2O/c1-29-24-15-13-20(14-16-24)25-18-26(28(27-25)23-9-3-2-4-10-23)22-12-11-19-7-5-6-8-21(19)17-22/h2-17,26H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427236 (CHEMBL2325094) Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:9| Show InChI InChI=1S/C25H18Cl2N2/c26-22-14-13-18(15-23(22)27)24-16-25(29(28-24)19-9-2-1-3-10-19)21-12-6-8-17-7-4-5-11-20(17)21/h1-15,25H,16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					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 HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427230 (CHEMBL2325106) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C(N)=S |t:9| Show InChI InChI=1S/C21H19N3OS/c1-25-16-11-9-15(10-12-16)19-13-20(24(23-19)21(22)26)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,20H,13H2,1H3,(H2,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					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 HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry				Bioorg Med Chem 21: 448-55 (2012) Article DOI: 10.1016/j.bmc.2012.11.020 BindingDB Entry DOI: 10.7270/Q2NS0W7B
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50424979 (CHEMBL2311747) Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8| Show InChI InChI=1S/C25H17Br2N3O2S/c26-18-6-1-15(2-7-18)20-12-22(17-5-10-23-24(11-17)32-14-31-23)30(29-20)25-28-21(13-33-25)16-3-8-19(27)9-4-16/h1-11,13,22H,12,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry				Bioorg Med Chem 21: 448-55 (2012) Article DOI: 10.1016/j.bmc.2012.11.020 BindingDB Entry DOI: 10.7270/Q2NS0W7B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50396483 (PLX-4032 | RG 7204 | Ro 5185426 | US10570155, Vemu...) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F Show InChI InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged wild type BRAF expressed in baculovirus expression system using recombinant human full length ...				Eur J Med Chem 155: 725-735 (2018) Article DOI: 10.1016/j.ejmech.2018.06.043 BindingDB Entry DOI: 10.7270/Q2639SF8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427237 (CHEMBL2325093) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8| Show InChI InChI=1S/C26H22N2/c1-19-14-16-21(17-15-19)25-18-26(28(27-25)22-10-3-2-4-11-22)24-13-7-9-20-8-5-6-12-23(20)24/h2-17,26H,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427247 (CHEMBL2325108) Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C20H15Cl2N3S/c21-16-9-8-13(10-17(16)22)18-11-19(25(24-18)20(23)26)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427235 (CHEMBL2325095) Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccc2ccccc2c1 |c:3| Show InChI InChI=1S/C25H20N2/c1-3-10-20(11-4-1)24-18-25(27(26-24)23-13-5-2-6-14-23)22-16-15-19-9-7-8-12-21(19)17-22/h1-17,25H,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427234 (CHEMBL2325096) Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19FN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427243 (CHEMBL2324871) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C20H16BrN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50424976 (CHEMBL2316785) Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2OCCOc2c1)c1nc(cs1)-c1ccc(Br)cc1 |t:8| Show InChI InChI=1S/C26H19Br2N3O2S/c27-19-6-1-16(2-7-19)21-14-23(18-5-10-24-25(13-18)33-12-11-32-24)31(30-21)26-29-22(15-34-26)17-3-8-20(28)9-4-17/h1-10,13,15,23H,11-12,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry				Bioorg Med Chem 21: 448-55 (2012) Article DOI: 10.1016/j.bmc.2012.11.020 BindingDB Entry DOI: 10.7270/Q2NS0W7B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427238 (CHEMBL2325091) Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19BrN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427229 (CHEMBL2324873) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8| Show InChI InChI=1S/C21H19N3S/c1-14-6-8-16(9-7-14)19-13-20(24(23-19)21(22)25)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427244 (CHEMBL2324870) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C20H16ClN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427228 (CHEMBL2325087) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427239 (CHEMBL2325090) Show SMILES Clc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19ClN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427232 (CHEMBL2325098) Show SMILES Brc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19BrN2/c26-22-14-12-19(13-15-22)24-17-25(28(27-24)23-8-2-1-3-9-23)21-11-10-18-6-4-5-7-20(18)16-21/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori)	BDBM50467083 (CHEMBL4293995) Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6])-[#6](=O)-[#7]\[#7]=[#6]-1\[#6](=O)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-c2ccccc-12 Show InChI InChI=1S/C22H23N3O4/c1-14(2)11-12-25-17-8-6-5-7-16(17)20(22(25)27)23-24-21(26)15-9-10-18(28-3)19(13-15)29-4/h5-11,13H,12H2,1-4H3,(H,24,26)/b23-20+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Helicobacter pylori urease after 50 mins by indophenol method				Bioorg Med Chem Lett 28: 3182-3186 (2018) Article DOI: 10.1016/j.bmcl.2018.08.025 BindingDB Entry DOI: 10.7270/Q2PN9894
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Mus musculus)	BDBM50468572 (CHEMBL4279170) Show SMILES S=C(Nc1ccccc1)N1N=C(CC1c1ccc2OCCOc2c1)c1ccccc1 |c:11| Show InChI InChI=1S/C24H21N3O2S/c30-24(25-19-9-5-2-6-10-19)27-21(16-20(26-27)17-7-3-1-4-8-17)18-11-12-22-23(15-18)29-14-13-28-22/h1-12,15,21H,13-14,16H2,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated...				Eur J Med Chem 155: 725-735 (2018) Article DOI: 10.1016/j.ejmech.2018.06.043 BindingDB Entry DOI: 10.7270/Q2639SF8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50424980 (CHEMBL2316794) Show SMILES COc1ccc(cc1)-c1csc(n1)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1 |c:16| Show InChI InChI=1S/C26H20BrN3O3S/c1-31-20-9-4-17(5-10-20)22-14-34-26(28-22)30-23(18-6-11-24-25(12-18)33-15-32-24)13-21(29-30)16-2-7-19(27)8-3-16/h2-12,14,23H,13,15H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human HER2 cytoplasmic domain (amino acids 676 to 1245) expressed in Sf9 cells by DELFIA time resolved fluorometry				Bioorg Med Chem 21: 448-55 (2012) Article DOI: 10.1016/j.bmc.2012.11.020 BindingDB Entry DOI: 10.7270/Q2NS0W7B
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Mus musculus)	BDBM50172062 (CHEMBL3806108) Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1 |c:12| Show InChI InChI=1S/C25H25N3O2/c1-27(2)20-11-8-18(9-12-20)23-17-22(26-28(23)21-6-4-3-5-7-21)19-10-13-24-25(16-19)30-15-14-29-24/h3-13,16,23H,14-15,17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of mouse wild type BRAF assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr befor...				Bioorg Med Chem 24: 3052-3061 (2016) Article DOI: 10.1016/j.bmc.2016.05.012 BindingDB Entry DOI: 10.7270/Q2HX1FKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50427228 (CHEMBL2325087) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C20H15Cl2N3S/c21-16-8-7-14(10-17(16)22)18-11-19(25(24-18)20(23)26)15-6-5-12-3-1-2-4-13(12)9-15/h1-10,19H,11H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50506989 (CHEMBL4457002) Show SMILES O=C(NS(=O)(=O)c1ccccc1)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H13NO5S/c18-16(17-23(19,20)13-4-2-1-3-5-13)9-7-12-6-8-14-15(10-12)22-11-21-14/h1-10H,11H2,(H,17,18)/b9-7+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization after 20 mins in presence of GTP by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3634-3638 (2018) Article DOI: 10.1016/j.bmcl.2018.10.037 BindingDB Entry DOI: 10.7270/Q27D2ZF3
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50506989 (CHEMBL4457002) Show SMILES O=C(NS(=O)(=O)c1ccccc1)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C16H13NO5S/c18-16(17-23(19,20)13-4-2-1-3-5-13)9-7-12-6-8-14-15(10-12)22-11-21-14/h1-10H,11H2,(H,17,18)/b9-7+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of bovine brain tubulin polymerization after 20 mins in presence of GTP by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3634-3638 (2018) Article DOI: 10.1016/j.bmcl.2018.10.037 BindingDB Entry DOI: 10.7270/Q27D2ZF3
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50428970 (CHEMBL2333209) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)C(C)=O |t:9| Show InChI InChI=1S/C19H18N2O4/c1-12(22)21-17(14-5-8-18-19(9-14)25-11-24-18)10-16(20-21)13-3-6-15(23-2)7-4-13/h3-9,17H,10-11H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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 Lett 23: 1091-5 (2013) Article DOI: 10.1016/j.bmcl.2012.12.010 BindingDB Entry DOI: 10.7270/Q2668FJ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427250 (CHEMBL2325104) Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C20H16ClN3S/c21-15-10-8-14(9-11-15)18-12-19(24(23-18)20(22)25)17-7-3-5-13-4-1-2-6-16(13)17/h1-11,19H,12H2,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50427225 (CHEMBL2325101) Show SMILES Clc1ccc(cc1Cl)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:9| Show InChI InChI=1S/C25H18Cl2N2/c26-22-13-12-19(15-23(22)27)24-16-25(29(28-24)21-8-2-1-3-9-21)20-11-10-17-6-4-5-7-18(17)14-20/h1-15,25H,16H2	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
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50427229 (CHEMBL2324873) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:8| Show InChI InChI=1S/C21H19N3S/c1-14-6-8-16(9-7-14)19-13-20(24(23-19)21(22)25)18-11-10-15-4-2-3-5-17(15)12-18/h2-12,20H,13H2,1H3,(H2,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427242 (CHEMBL2324872) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)C(N)=S |t:9| Show InChI InChI=1S/C21H19N3OS/c1-25-18-10-8-15(9-11-18)19-13-20(24(23-19)21(22)26)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3,(H2,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Mus musculus)	BDBM50172059 (CHEMBL3805508) Show SMILES C(Oc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1 |c:11| Show InChI InChI=1S/C30H26N2O3/c1-3-8-22(9-4-1)21-35-26-13-7-10-24(18-26)28-20-27(31-32(28)25-11-5-2-6-12-25)23-14-15-29-30(19-23)34-17-16-33-29/h1-15,18-19,28H,16-17,20-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of mouse wild type BRAF assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr befor...				Bioorg Med Chem 24: 3052-3061 (2016) Article DOI: 10.1016/j.bmc.2016.05.012 BindingDB Entry DOI: 10.7270/Q2HX1FKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50427240 (CHEMBL2325089) Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19FN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR cytoplasmic domain (645 to 1186) (unknown origin) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50427226 (CHEMBL2325100) Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2ccccc2c1)c1ccccc1 |t:8| Show InChI InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50427243 (CHEMBL2324871) Show SMILES NC(=S)N1N=C(CC1c1ccc2ccccc2c1)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C20H16BrN3S/c21-17-9-7-14(8-10-17)18-12-19(24(23-18)20(22)25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,19H,12H2,(H2,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50394100 (CHEMBL2158655) Show SMILES Brc1ccc(CSc2nnc(s2)-c2cnccn2)cc1 Show InChI InChI=1S/C13H9BrN4S2/c14-10-3-1-9(2-4-10)8-19-13-18-17-12(20-13)11-7-15-5-6-16-11/h1-7H,8H2	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	1.24E+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 HepG2 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 20: 6356-65 (2012) Article DOI: 10.1016/j.bmc.2012.08.059 BindingDB Entry DOI: 10.7270/Q2B85977
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50357377 (CHEMBL1917268) Show SMILES Cc1ccccc1CSc1nnc(o1)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H16N2O3S/c1-12-4-2-3-5-14(12)11-24-18-20-19-17(23-18)13-6-7-15-16(10-13)22-9-8-21-15/h2-7,10H,8-9,11H2,1H3	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	1.27E+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 SW1116 cells after 24 hrs by TRAP-PCR-ELISA assay				Bioorg Med Chem 19: 6518-24 (2011) Article DOI: 10.1016/j.bmc.2011.08.013 BindingDB Entry DOI: 10.7270/Q2H70G7M
					More data for this Ligand-Target Pair

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