Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'trigwell' and Initial = 'cb'   

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))	BDBM50236369 ((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236369 ((R)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373853 (CHEMBL258282) Show SMILES CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)14-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373856 (CHEMBL271705) Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCOCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O3/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-25-17)28-21-20-22(27-15-26-21)29-30-23(20)33-12-9-31-7-10-32-11-8-31/h1-6,13,15H,7-12,14H2,(H2,26,27,28,29,30)	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373862 (CHEMBL402553) Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371358 (CHEMBL257478) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C27H29N5O4/c1-17-14-20(9-11-23(17)36-21-10-8-18(2)28-15-21)31-26-25-22(29-16-30-26)6-5-7-24(25)35-19(3)27(34)32(4)12-13-33/h5-11,14-16,19,33H,12-13H2,1-4H3,(H,29,30,31)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373864 (CHEMBL402339) Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-35-22-14-19(5-6-21(22)37-15-17-3-2-4-18(27)13-17)30-24-23-25(29-16-28-24)31-32-26(23)36-12-11-33-9-7-20(34)8-10-33/h2-6,13-14,16,20,34H,7-12,15H2,1H3,(H2,28,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373852 (CHEMBL257430) Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373857 (CHEMBL255135) Show SMILES CNCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C20H20ClN7O2/c1-22-8-9-29-20-17-18(24-12-25-19(17)27-28-20)26-13-5-6-16(15(21)10-13)30-11-14-4-2-3-7-23-14/h2-7,10,12,22H,8-9,11H2,1H3,(H2,24,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373869 (CHEMBL258270) Show SMILES CC(=O)N1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H27ClN8O3/c1-17(35)34-10-8-33(9-11-34)12-13-36-25-22-23(28-16-29-24(22)31-32-25)30-18-5-6-21(20(26)14-18)37-15-19-4-2-3-7-27-19/h2-7,14,16H,8-13,15H2,1H3,(H2,28,29,30,31,32)	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373861 (CHEMBL411897) Show SMILES COC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c1-34-19-7-10-33(11-8-19)12-13-35-25-22-23(28-16-29-24(22)31-32-25)30-17-5-6-21(20(26)14-17)36-15-18-4-2-3-9-27-18/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H2,28,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373855 (CHEMBL272935) Show SMILES CN1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H29ClN8O2/c1-33-10-12-34(13-11-33)9-4-14-35-25-22-23(28-17-29-24(22)31-32-25)30-18-6-7-21(20(26)15-18)36-16-19-5-2-3-8-27-19/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H2,28,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373859 (CHEMBL257861) Show SMILES OCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C19H17ClN6O3/c20-14-9-12(4-5-15(14)29-10-13-3-1-2-6-21-13)24-17-16-18(23-11-22-17)25-26-19(16)28-8-7-27/h1-6,9,11,27H,7-8,10H2,(H2,22,23,24,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373866 (CHEMBL403435) Show SMILES Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O3/c1-17-14-18(5-6-21(17)35-15-19-4-2-3-9-26-19)29-23-22-24(28-16-27-23)30-31-25(22)34-13-12-32-10-7-20(33)8-11-32/h2-6,9,14,16,20,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373867 (CHEMBL404405) Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-13-16(4-5-20(19)35-14-17-3-1-2-8-26-17)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-32-9-6-18(33)7-10-32/h1-5,8,13,15,18,33H,6-7,9-12,14H2,(H2,27,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373853 (CHEMBL258282) Show SMILES CN1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)14-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373854 (CHEMBL257873) Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2F)cn1 Show InChI InChI=1S/C24H26FN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236375 ((S)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373860 (CHEMBL257860) Show SMILES OC1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373858 (CHEMBL255170) Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2Cl)cn1 Show InChI InChI=1S/C24H26ClN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31)	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236373 ((R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236370 ((R)-N,N-dimethyl-2-(4-(1-(pyridin-2-ylmethyl)-1H-i...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H25N7O2/c1-17(26(34)32(2)3)35-23-9-6-8-21-24(23)25(29-16-28-21)31-19-10-11-22-18(13-19)14-30-33(22)15-20-7-4-5-12-27-20/h4-14,16-17H,15H2,1-3H3,(H,28,29,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373862 (CHEMBL402553) Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H24ClN7O2/c24-18-13-16(6-7-19(18)33-14-17-5-1-2-8-25-17)28-21-20-22(27-15-26-21)29-30-23(20)32-12-11-31-9-3-4-10-31/h1-2,5-8,13,15H,3-4,9-12,14H2,(H2,26,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373852 (CHEMBL257430) Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCN4CCNCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373860 (CHEMBL257860) Show SMILES OC1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c26-20-14-17(5-6-21(20)36-15-18-4-1-2-9-27-18)30-23-22-24(29-16-28-23)31-32-25(22)35-13-3-10-33-11-7-19(34)8-12-33/h1-2,4-6,9,14,16,19,34H,3,7-8,10-13,15H2,(H2,28,29,30,31,32)	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373865 (CHEMBL257872) Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4n[nH]c(OCCN5CCC(O)CC5)c34)cc2C)cn1 Show InChI InChI=1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-12-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236381 ((S)-1-morpholino-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...) Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373864 (CHEMBL402339) Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1cccc(F)c1 Show InChI InChI=1S/C26H29FN6O4/c1-35-22-14-19(5-6-21(22)37-15-17-3-2-4-18(27)13-17)30-24-23-25(29-16-28-24)31-32-26(23)36-12-11-33-9-7-20(34)8-10-33/h2-6,13-14,16,20,34H,7-12,15H2,1H3,(H2,28,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373867 (CHEMBL404405) Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-13-16(4-5-20(19)35-14-17-3-1-2-8-26-17)29-22-21-23(28-15-27-22)30-31-24(21)34-12-11-32-9-6-18(33)7-10-32/h1-5,8,13,15,18,33H,6-7,9-12,14H2,(H2,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373855 (CHEMBL272935) Show SMILES CN1CCN(CCCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H29ClN8O2/c1-33-10-12-34(13-11-33)9-4-14-35-25-22-23(28-17-29-24(22)31-32-25)30-18-6-7-21(20(26)15-18)36-16-19-5-2-3-8-27-19/h2-3,5-8,15,17H,4,9-14,16H2,1H3,(H2,28,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373859 (CHEMBL257861) Show SMILES OCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C19H17ClN6O3/c20-14-9-12(4-5-15(14)29-10-13-3-1-2-6-21-13)24-17-16-18(23-11-22-17)25-26-19(16)28-8-7-27/h1-6,9,11,27H,7-8,10H2,(H2,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373868 (CHEMBL257859) Show SMILES Clc1cc(Nc2ncnc3n[nH]c(OCCCN4CCOCC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C24H26ClN7O3/c25-19-14-17(5-6-20(19)35-15-18-4-1-2-7-26-18)29-22-21-23(28-16-27-22)30-31-24(21)34-11-3-8-32-9-12-33-13-10-32/h1-2,4-7,14,16H,3,8-13,15H2,(H2,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373863 (CHEMBL401713) Show SMILES COc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O4/c1-34-21-14-17(5-6-20(21)36-15-18-4-2-3-9-26-18)29-23-22-24(28-16-27-23)30-31-25(22)35-13-12-32-10-7-19(33)8-11-32/h2-6,9,14,16,19,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erbB2				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373857 (CHEMBL255135) Show SMILES CNCCOc1[nH]nc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI InChI=1S/C20H20ClN7O2/c1-22-8-9-29-20-17-18(24-12-25-19(17)27-28-20)26-13-5-6-16(15(21)10-13)30-11-14-4-2-3-7-23-14/h2-7,10,12,22H,8-9,11H2,1H3,(H2,24,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373866 (CHEMBL403435) Show SMILES Cc1cc(Nc2ncnc3n[nH]c(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1 Show InChI InChI=1S/C25H29N7O3/c1-17-14-18(5-6-21(17)35-15-19-4-2-3-9-26-19)29-23-22-24(28-16-27-23)30-31-25(22)34-13-12-32-10-7-20(33)8-11-32/h2-6,9,14,16,20,33H,7-8,10-13,15H2,1H3,(H2,27,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371359 (CHEMBL403774) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H26ClN5O4/c1-18(27(34)33-11-13-35-14-12-33)37-24-7-4-6-22-25(24)26(31-17-30-22)32-19-8-9-23(21(28)15-19)36-16-20-5-2-3-10-29-20/h2-10,15,17-18H,11-14,16H2,1H3,(H,30,31,32)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50373870 (CHEMBL255376) Show SMILES OC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H26ClFN6O3/c26-20-13-18(4-5-21(20)36-14-16-2-1-3-17(27)12-16)30-23-22-24(29-15-28-23)31-32-25(22)35-11-10-33-8-6-19(34)7-9-33/h1-5,12-13,15,19,34H,6-11,14H2,(H2,28,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of erB2 autophosphorylation in clone 24 cells				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50371364 (CHEMBL428777) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C25H24ClN5O3/c1-16(25(32)31(2)3)34-22-9-6-8-20-23(22)24(29-15-28-20)30-17-10-11-21(19(26)13-17)33-14-18-7-4-5-12-27-18/h4-13,15-16H,14H2,1-3H3,(H,28,29,30)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371373 (CHEMBL402507) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H29N5O4/c1-18-15-21(8-10-24(18)37-22-9-7-19(2)29-16-22)32-27-26-23(30-17-31-27)5-4-6-25(26)36-20(3)28(34)33-11-13-35-14-12-33/h4-10,15-17,20H,11-14H2,1-3H3,(H,30,31,32)/t20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236368 ((R)-2-(4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C29H27FN6O3/c1-19(29(37)35-10-12-38-13-11-35)39-26-7-3-6-24-27(26)28(32-18-31-24)34-23-8-9-25-21(15-23)16-33-36(25)17-20-4-2-5-22(30)14-20/h2-9,14-16,18-19H,10-13,17H2,1H3,(H,31,32,34)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50229343 ((R)-N,N-dimethyl-2-(4-(3-methyl-4-(6-methylpyridin...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-23(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371371 (CHEMBL411799) Show SMILES COc1cc(Nc2ncnc3cccc(O[C@H](C)C(=O)N4CCOCC4)c23)ccc1Oc1ccc(C)nc1 Show InChI InChI=1S/C28H29N5O5/c1-18-7-9-21(16-29-18)38-23-10-8-20(15-25(23)35-3)32-27-26-22(30-17-31-27)5-4-6-24(26)37-19(2)28(34)33-11-13-36-14-12-33/h4-10,15-17,19H,11-14H2,1-3H3,(H,30,31,32)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50229343 ((R)-N,N-dimethyl-2-(4-(3-methyl-4-(6-methylpyridin...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-23(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236377 ((S)-N,N-dimethyl-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...) Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C24H23N7O2S/c1-15(24(32)30(2)3)33-20-6-4-5-18-22(20)23(27-14-26-18)29-17-7-8-19-16(11-17)12-28-31(19)13-21-25-9-10-34-21/h4-12,14-15H,13H2,1-3H3,(H,26,27,29)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236376 ((R)-N,N-dimethyl-2-(4-(1-(thiazol-2-ylmethyl)-1H-i...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12)C(=O)N(C)C Show InChI InChI=1S/C24H23N7O2S/c1-15(24(32)30(2)3)33-20-6-4-5-18-22(20)23(27-14-26-18)29-17-7-8-19-16(11-17)12-28-31(19)13-21-25-9-10-34-21/h4-12,14-15H,13H2,1-3H3,(H,26,27,29)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371372 (CHEMBL402798) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H26ClN5O4/c1-17-6-8-20(15-29-17)37-23-9-7-19(14-21(23)28)32-26-25-22(30-16-31-26)4-3-5-24(25)36-18(2)27(34)33-10-12-35-13-11-33/h3-9,14-16,18H,10-13H2,1-2H3,(H,30,31,32)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50373861 (CHEMBL411897) Show SMILES COC1CCN(CCOc2[nH]nc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C25H28ClN7O3/c1-34-19-7-10-33(11-8-19)12-13-35-25-22-23(28-16-29-24(22)31-32-25)30-17-5-6-21(20(26)14-17)36-15-18-4-2-3-9-27-18/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H2,28,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 18: 959-62 (2008) Article DOI: 10.1016/j.bmcl.2007.12.035 BindingDB Entry DOI: 10.7270/Q21N81ZG
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371366 (CHEMBL429760) Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N(C)C Show InChI InChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-23(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50371368 (CHEMBL258313) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)N(C)CCO Show InChI InChI=1S/C26H26ClN5O4/c1-17(26(34)32(2)12-13-33)36-23-8-5-7-21-24(23)25(30-16-29-21)31-18-9-10-22(20(27)14-18)35-15-19-6-3-4-11-28-19/h3-11,14,16-17,33H,12-13,15H2,1-2H3,(H,29,30,31)/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50236383 ((R)-2-(4-(1-(pyridin-2-ylmethyl)-1H-indazol-5-ylam...) Show SMILES C[C@@H](Oc1cccc2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)C(N)=O Show InChI InChI=1S/C24H21N7O2/c1-15(23(25)32)33-21-7-4-6-19-22(21)24(28-14-27-19)30-17-8-9-20-16(11-17)12-29-31(20)13-18-5-2-3-10-26-18/h2-12,14-15H,13H2,1H3,(H2,25,32)(H,27,28,30)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair

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