Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50019374   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204120 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES OC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H19FN6O3/c24-18-3-1-2-15(8-18)11-30-20-5-4-19(9-17(20)10-26-30)28-23-22-16(12-33-13-21(31)32)6-7-29(22)27-14-25-23/h1-10,14H,11-13H2,(H,31,32)(H,25,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204120 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES OC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H19FN6O3/c24-18-3-1-2-15(8-18)11-30-20-5-4-19(9-17(20)10-26-30)28-23-22-16(12-33-13-21(31)32)6-7-29(22)27-14-25-23/h1-10,14H,11-13H2,(H,31,32)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204142 (CHEMBL245278 | N-(1-((R)-1-(3-fluorophenyl)ethyl)-...) Show SMILES C[C@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 Show InChI InChI=1S/C27H28FN7O2/c1-18(19-3-2-4-22(28)11-19)35-25-6-5-23(12-21(25)13-31-35)33-27-26-20(7-9-34(26)32-17-30-27)15-36-16-24-14-29-8-10-37-24/h2-7,9,11-13,17-18,24,29H,8,10,14-16H2,1H3,(H,30,32,33)/t18-,24+/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	41	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204134 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((mor...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204115 (CHEMBL245667 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NCCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C24H24FN7O/c25-20-4-1-3-17(11-20)14-32-22-6-5-21(12-19(22)13-28-32)30-24-23-18(15-33-10-2-8-26)7-9-31(23)29-16-27-24/h1,3-7,9,11-13,16H,2,8,10,14-15,26H2,(H,27,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204117 ((R)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((mor...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6CNCCO6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/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	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204134 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((mor...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204115 (CHEMBL245667 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NCCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C24H24FN7O/c25-20-4-1-3-17(11-20)14-32-22-6-5-21(12-19(22)13-28-32)30-24-23-18(15-33-10-2-8-26)7-9-31(23)29-16-27-24/h1,3-7,9,11-13,16H,2,8,10,14-15,26H2,(H,27,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204142 (CHEMBL245278 | N-(1-((R)-1-(3-fluorophenyl)ethyl)-...) Show SMILES C[C@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 Show InChI InChI=1S/C27H28FN7O2/c1-18(19-3-2-4-22(28)11-19)35-25-6-5-23(12-21(25)13-31-35)33-27-26-20(7-9-34(26)32-17-30-27)15-36-16-24-14-29-8-10-37-24/h2-7,9,11-13,17-18,24,29H,8,10,14-16H2,1H3,(H,30,32,33)/t18-,24+/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	68	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204127 (CHEMBL245869 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC6CCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O/c27-21-3-1-2-18(12-21)15-34-24-5-4-22(13-20(24)14-30-34)32-26-25-19(8-11-33(25)31-17-29-26)16-35-23-6-9-28-10-7-23/h1-5,8,11-14,17,23,28H,6-7,9-10,15-16H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204127 (CHEMBL245869 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC6CCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O/c27-21-3-1-2-18(12-21)15-34-24-5-4-22(13-20(24)14-30-34)32-26-25-19(8-11-33(25)31-17-29-26)16-35-23-6-9-28-10-7-23/h1-5,8,11-14,17,23,28H,6-7,9-10,15-16H2,(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204124 (CHEMBL427671 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES Cc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C21H17FN6/c1-14-7-8-27-20(14)21(23-13-25-27)26-18-5-6-19-16(10-18)11-24-28(19)12-15-3-2-4-17(22)9-15/h2-11,13H,12H2,1H3,(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204117 ((R)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((mor...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6CNCCO6)c45)ccc23)c1 Show InChI InChI=1S/C26H26FN7O2/c27-21-3-1-2-18(10-21)14-34-24-5-4-22(11-20(24)12-30-34)32-26-25-19(6-8-33(25)31-17-29-26)15-35-16-23-13-28-7-9-36-23/h1-6,8,10-12,17,23,28H,7,9,13-16H2,(H,29,31,32)/t23-/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	83	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204121 (CHEMBL429827 | N-(1-benzyl-1H-indazol-5-yl)-5-meth...) Show SMILES Cc1ccn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12 Show InChI InChI=1S/C21H18N6/c1-15-9-10-26-20(15)21(22-14-24-26)25-18-7-8-19-17(11-18)12-23-27(19)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204124 (CHEMBL427671 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES Cc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C21H17FN6/c1-14-7-8-27-20(14)21(23-13-25-27)26-18-5-6-19-16(10-18)11-24-28(19)12-15-3-2-4-17(22)9-15/h2-11,13H,12H2,1H3,(H,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204137 (CHEMBL394333 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H22FN7O/c24-19-3-1-2-16(10-19)13-31-21-5-4-20(11-18(21)12-27-31)29-23-22-17(14-32-9-7-25)6-8-30(22)28-15-26-23/h1-6,8,10-12,15H,7,9,13-14,25H2,(H,26,28,29)	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204137 (CHEMBL394333 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H22FN7O/c24-19-3-1-2-16(10-19)13-31-21-5-4-20(11-18(21)12-27-31)29-23-22-17(14-32-9-7-25)6-8-30(22)28-15-26-23/h1-6,8,10-12,15H,7,9,13-14,25H2,(H,26,28,29)	PDB MMDB 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50150776 ((3-Chloro-4-fluoro-phenyl)-(5-methyl-pyrrolo[2,1-f...) Show SMILES Cc1ccn2ncnc(Nc3ccc(F)c(Cl)c3)c12 Show InChI InChI=1S/C13H10ClFN4/c1-8-4-5-19-12(8)13(16-7-17-19)18-9-2-3-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204121 (CHEMBL429827 | N-(1-benzyl-1H-indazol-5-yl)-5-meth...) Show SMILES Cc1ccn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12 Show InChI InChI=1S/C21H18N6/c1-15-9-10-26-20(15)21(22-14-24-26)25-18-7-8-19-17(11-18)12-23-27(19)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,22,24,25)	PDB MMDB 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204122 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES NC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H20FN7O2/c24-18-3-1-2-15(8-18)11-31-20-5-4-19(9-17(20)10-27-31)29-23-22-16(12-33-13-21(25)32)6-7-30(22)28-14-26-23/h1-10,14H,11-13H2,(H2,25,32)(H,26,28,29)	PDB MMDB 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204126 ((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyrrol...) Show SMILES OCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C21H17FN6O/c22-17-3-1-2-14(8-17)11-28-19-5-4-18(9-16(19)10-24-28)26-21-20-15(12-29)6-7-27(20)25-13-23-21/h1-10,13,29H,11-12H2,(H,23,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204116 (CHEMBL246072 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COCC6CCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C27H28FN7O/c28-23-3-1-2-20(12-23)15-35-25-5-4-24(13-22(25)14-31-35)33-27-26-21(8-11-34(26)32-18-30-27)17-36-16-19-6-9-29-10-7-19/h1-5,8,11-14,18-19,29H,6-7,9-10,15-17H2,(H,30,32,33)	PDB MMDB 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204126 ((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyrrol...) Show SMILES OCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C21H17FN6O/c22-17-3-1-2-14(8-17)11-28-19-5-4-18(9-16(19)10-24-28)26-21-20-15(12-29)6-7-27(20)25-13-23-21/h1-10,13,29H,11-12H2,(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204132 (5-(((S)-morpholin-2-ylmethoxy)methyl)-N-(1-((R)-1-...) Show SMILES C[C@H](c1ccccc1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 Show InChI InChI=1S/C27H29N7O2/c1-19(20-5-3-2-4-6-20)34-25-8-7-23(13-22(25)14-30-34)32-27-26-21(9-11-33(26)31-18-29-27)16-35-17-24-15-28-10-12-36-24/h2-9,11,13-14,18-19,24,28H,10,12,15-17H2,1H3,(H,29,31,32)/t19-,24+/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204132 (5-(((S)-morpholin-2-ylmethoxy)methyl)-N-(1-((R)-1-...) Show SMILES C[C@H](c1ccccc1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 Show InChI InChI=1S/C27H29N7O2/c1-19(20-5-3-2-4-6-20)34-25-8-7-23(13-22(25)14-30-34)32-27-26-21(9-11-33(26)31-18-29-27)16-35-17-24-15-28-10-12-36-24/h2-9,11,13-14,18-19,24,28H,10,12,15-17H2,1H3,(H,29,31,32)/t19-,24+/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	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204116 (CHEMBL246072 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COCC6CCNCC6)c45)ccc23)c1 Show InChI InChI=1S/C27H28FN7O/c28-23-3-1-2-20(12-23)15-35-25-5-4-24(13-22(25)14-31-35)33-27-26-21(8-11-34(26)32-18-30-27)17-36-16-19-6-9-29-10-7-19/h1-5,8,11-14,18-19,29H,6-7,9-10,15-17H2,(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204138 (CHEMBL245867 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NCCCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C25H26FN7O/c26-21-5-3-4-18(12-21)15-33-23-7-6-22(13-20(23)14-29-33)31-25-24-19(16-34-11-2-1-9-27)8-10-32(24)30-17-28-25/h3-8,10,12-14,17H,1-2,9,11,15-16,27H2,(H,28,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204122 (2-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyr...) Show SMILES NC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C23H20FN7O2/c24-18-3-1-2-15(8-18)11-31-20-5-4-19(9-17(20)10-27-31)29-23-22-16(12-33-13-21(25)32)6-7-30(22)28-14-26-23/h1-10,14H,11-13H2,(H2,25,32)(H,26,28,29)	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204118 (5-(((1,4-oxazepan-6-yl)methoxy)methyl)-N-(1-(3-flu...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COCC6CNCCOC6)c45)ccc23)c1 |w:25.24| Show InChI InChI=1S/C27H28FN7O2/c28-23-3-1-2-19(10-23)14-35-25-5-4-24(11-22(25)13-31-35)33-27-26-21(6-8-34(26)32-18-30-27)17-37-16-20-12-29-7-9-36-15-20/h1-6,8,10-11,13,18,20,29H,7,9,12,14-17H2,(H,30,32,33)	PDB MMDB 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204138 (CHEMBL245867 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NCCCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C25H26FN7O/c26-21-5-3-4-18(12-21)15-33-23-7-6-22(13-20(23)14-29-33)31-25-24-19(16-34-11-2-1-9-27)8-10-32(24)30-17-28-25/h3-8,10,12-14,17H,1-2,9,11,15-16,27H2,(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204133 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((pip...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6CCCNC6)c45)ccc23)c1 Show InChI InChI=1S/C27H28FN7O/c28-23-5-1-3-19(11-23)15-35-25-7-6-24(12-22(25)14-31-35)33-27-26-21(8-10-34(26)32-18-30-27)17-36-16-20-4-2-9-29-13-20/h1,3,5-8,10-12,14,18,20,29H,2,4,9,13,15-17H2,(H,30,32,33)/t20-/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	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204133 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-5-((pip...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6CCCNC6)c45)ccc23)c1 Show InChI InChI=1S/C27H28FN7O/c28-23-5-1-3-19(11-23)15-35-25-7-6-24(12-22(25)14-31-35)33-27-26-21(8-10-34(26)32-18-30-27)17-36-16-20-4-2-9-29-13-20/h1,3,5-8,10-12,14,18,20,29H,2,4,9,13,15-17H2,(H,30,32,33)/t20-/m0/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	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204140 (5-methyl-N-(1-(pyridin-2-ylmethyl)-1H-indazol-5-yl...) Show SMILES Cc1ccn2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12 Show InChI InChI=1S/C20H17N7/c1-14-7-9-26-19(14)20(22-13-24-26)25-16-5-6-18-15(10-16)11-23-27(18)12-17-4-2-3-8-21-17/h2-11,13H,12H2,1H3,(H,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204118 (5-(((1,4-oxazepan-6-yl)methoxy)methyl)-N-(1-(3-flu...) Show SMILES Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COCC6CNCCOC6)c45)ccc23)c1 |w:25.24| Show InChI InChI=1S/C27H28FN7O2/c28-23-3-1-2-19(10-23)14-35-25-5-4-24(11-22(25)13-31-35)33-27-26-21(6-8-34(26)32-18-30-27)17-37-16-20-12-29-7-9-36-15-20/h1-6,8,10-11,13,18,20,29H,7,9,12,14-17H2,(H,30,32,33)	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204144 (CHEMBL247100 | N-(1H-indazol-5-yl)-5-methylpyrrolo...) Show SMILES Cc1ccn2ncnc(Nc3ccc4[nH]ncc4c3)c12 Show InChI InChI=1S/C14H12N6/c1-9-4-5-20-13(9)14(15-8-17-20)18-11-2-3-12-10(6-11)7-16-19-12/h2-8H,1H3,(H,16,19)(H,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204143 (5-methyl-N-(1-(pyridin-3-ylmethyl)-1H-indazol-5-yl...) Show SMILES Cc1ccn2ncnc(Nc3ccc4n(Cc5cccnc5)ncc4c3)c12 Show InChI InChI=1S/C20H17N7/c1-14-6-8-26-19(14)20(22-13-24-26)25-17-4-5-18-16(9-17)11-23-27(18)12-15-3-2-7-21-10-15/h2-11,13H,12H2,1H3,(H,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204125 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-6-metho...) Show SMILES COc1cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1COC[C@@H]1CNCCO1 Show InChI InChI=1S/C27H28FN7O3/c1-36-25-14-35-26(23(25)16-37-15-22-12-29-7-8-38-22)27(30-17-32-35)33-21-5-6-24-19(10-21)11-31-34(24)13-18-3-2-4-20(28)9-18/h2-6,9-11,14,17,22,29H,7-8,12-13,15-16H2,1H3,(H,30,32,33)/t22-/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204135 (CHEMBL247101 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Cc1ccn2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12 Show InChI InChI=1S/C20H16ClFN4O/c1-13-7-8-26-19(13)20(23-12-24-26)25-16-5-6-18(17(21)10-16)27-11-14-3-2-4-15(22)9-14/h2-10,12H,11H2,1H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204123 (CHEMBL246491 | methyl 2-((4-(1-(3-fluorobenzyl)-1H...) Show SMILES COC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C24H21FN6O3/c1-33-22(32)14-34-13-17-7-8-30-23(17)24(26-15-28-30)29-20-5-6-21-18(10-20)11-27-31(21)12-16-3-2-4-19(25)9-16/h2-11,15H,12-14H2,1H3,(H,26,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204140 (5-methyl-N-(1-(pyridin-2-ylmethyl)-1H-indazol-5-yl...) Show SMILES Cc1ccn2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12 Show InChI InChI=1S/C20H17N7/c1-14-7-9-26-19(14)20(22-13-24-26)25-16-5-6-18-15(10-16)11-23-27(18)12-17-4-2-3-8-21-17/h2-11,13H,12H2,1H3,(H,22,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204131 (CHEMBL394056 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C22H19FN6O/c1-30-13-16-7-8-28-21(16)22(24-14-26-28)27-19-5-6-20-17(10-19)11-25-29(20)12-15-3-2-4-18(23)9-15/h2-11,14H,12-13H2,1H3,(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204145 ((S)-5-((morpholin-2-ylmethoxy)methyl)-N-(1-(pyridi...) Show SMILES C(OCc1ccn2ncnc(Nc3ccc4n(Cc5ccccn5)ncc4c3)c12)[C@@H]1CNCCO1 Show InChI InChI=1S/C25H26N8O2/c1-2-7-27-21(3-1)14-33-23-5-4-20(11-19(23)12-29-33)31-25-24-18(6-9-32(24)30-17-28-25)15-34-16-22-13-26-8-10-35-22/h1-7,9,11-12,17,22,26H,8,10,13-16H2,(H,28,30,31)/t22-/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	380	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204139 (CHEMBL397122 | N-(1-((S)-1-(3-fluorophenyl)ethyl)-...) Show SMILES C[C@@H](c1cccc(F)c1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 Show InChI InChI=1S/C27H28FN7O2/c1-18(19-3-2-4-22(28)11-19)35-25-6-5-23(12-21(25)13-31-35)33-27-26-20(7-9-34(26)32-17-30-27)15-36-16-24-14-29-8-10-37-24/h2-7,9,11-13,17-18,24,29H,8,10,14-16H2,1H3,(H,30,32,33)/t18-,24-/m0/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	400	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204129 ((S)-5-((morpholin-2-ylmethoxy)methyl)-N-(1-(pyridi...) Show SMILES C(OCc1ccn2ncnc(Nc3ccc4n(Cc5cccnc5)ncc4c3)c12)[C@@H]1CNCCO1 Show InChI InChI=1S/C25H26N8O2/c1-2-18(11-26-6-1)14-33-23-4-3-21(10-20(23)12-29-33)31-25-24-19(5-8-32(24)30-17-28-25)15-34-16-22-13-27-7-9-35-22/h1-6,8,10-12,17,22,27H,7,9,13-16H2,(H,28,30,31)/t22-/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	410	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204131 (CHEMBL394056 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C22H19FN6O/c1-30-13-16-7-8-28-21(16)22(24-14-26-28)27-19-5-6-20-17(10-19)11-25-29(20)12-15-3-2-4-18(23)9-15/h2-11,14H,12-13H2,1H3,(H,24,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204130 (CHEMBL246489 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES COCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C24H23FN6O2/c1-32-9-10-33-15-18-7-8-30-23(18)24(26-16-28-30)29-21-5-6-22-19(12-21)13-27-31(22)14-17-3-2-4-20(25)11-17/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,26,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50204135 (CHEMBL247101 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Cc1ccn2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12 Show InChI InChI=1S/C20H16ClFN4O/c1-13-7-8-26-19(13)20(23-12-24-26)25-16-5-6-18(17(21)10-16)27-11-14-3-2-4-15(22)9-14/h2-10,12H,11H2,1H3,(H,23,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant cytoplasmic HER2 kinase expressed in Sf9 cells				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204125 ((S)-N-(1-(3-fluorobenzyl)-1H-indazol-5-yl)-6-metho...) Show SMILES COc1cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1COC[C@@H]1CNCCO1 Show InChI InChI=1S/C27H28FN7O3/c1-36-25-14-35-26(23(25)16-37-15-22-12-29-7-8-38-22)27(30-17-32-35)33-21-5-6-24-19(10-21)11-31-34(24)13-18-3-2-4-20(28)9-18/h2-6,9-11,14,17,22,29H,7-8,12-13,15-16H2,1H3,(H,30,32,33)/t22-/m0/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	430	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204123 (CHEMBL246491 | methyl 2-((4-(1-(3-fluorobenzyl)-1H...) Show SMILES COC(=O)COCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C24H21FN6O3/c1-33-22(32)14-34-13-17-7-8-30-23(17)24(26-15-28-30)29-20-5-6-21-18(10-20)11-27-31(21)12-16-3-2-4-19(25)9-16/h2-11,15H,12-14H2,1H3,(H,26,28,29)	PDB MMDB KEGG 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50204130 (CHEMBL246489 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES COCCOCc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 Show InChI InChI=1S/C24H23FN6O2/c1-32-9-10-33-15-18-7-8-30-23(18)24(26-16-28-30)29-21-5-6-22-19(12-21)13-27-31(22)14-17-3-2-4-20(25)11-17/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,26,28,29)	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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 2036-42 (2007) Article DOI: 10.1016/j.bmcl.2007.01.002 BindingDB Entry DOI: 10.7270/Q2GT5MVS
					More data for this Ligand-Target Pair

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