Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50032701   

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))	BDBM50333375 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-bromophenyl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1 Show InChI InChI=1S/C18H21BrN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333374 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H21ClN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333376 (5-((4-aminopiperidin-1-yl)methyl)-N-m-tolylpyrrolo...) Show SMILES Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C19H24N6/c1-14-3-2-4-17(11-14)23-19-18-15(5-10-25(18)22-13-21-19)12-24-8-6-16(20)7-9-24/h2-5,10-11,13,16H,6-9,12,20H2,1H3,(H,21,22,23)	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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333372 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-fl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-3,8-9,11,13H,4-7,10,21H2,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333375 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-bromophenyl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Br)c4)c23)CC1 Show InChI InChI=1S/C18H21BrN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333378 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(F)c4)c23)CC1 Show InChI InChI=1S/C18H21FN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333377 (5-((4-aminopiperidin-1-yl)methyl)-N-p-tolylpyrrolo...) Show SMILES Cc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1 Show InChI InChI=1S/C19H24N6/c1-14-2-4-17(5-3-14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,13,16H,7-10,12,20H2,1H3,(H,21,22,23)	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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333379 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-ethynylphen...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)C#C)c23)CC1 Show InChI InChI=1S/C20H22N6/c1-2-15-4-3-5-18(12-15)24-20-19-16(6-11-26(19)23-14-22-20)13-25-9-7-17(21)8-10-25/h1,3-6,11-12,14,17H,7-10,13,21H2,(H,22,23,24)	PDB MMDB 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333374 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H21ClN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333380 (5-((4-aminopiperidin-1-yl)methyl)-N-phenylpyrrolo[...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1 Show InChI InChI=1S/C18H22N6/c19-15-7-9-23(10-8-15)12-14-6-11-24-17(14)18(20-13-21-24)22-16-4-2-1-3-5-16/h1-6,11,13,15H,7-10,12,19H2,(H,20,21,22)	PDB MMDB 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333372 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-fl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-3,8-9,11,13H,4-7,10,21H2,(H,22,23,24)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333379 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-ethynylphen...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(c4)C#C)c23)CC1 Show InChI InChI=1S/C20H22N6/c1-2-15-4-3-5-18(12-15)24-20-19-16(6-11-26(19)23-14-22-20)13-25-9-7-17(21)8-10-25/h1,3-6,11-12,14,17H,7-10,13,21H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333382 (5-((4-aminopiperidin-1-yl)methyl)-N-o-tolylpyrrolo...) Show SMILES Cc1ccccc1Nc1ncnn2ccc(CN3CCC(N)CC3)c12 Show InChI InChI=1S/C19H24N6/c1-14-4-2-3-5-17(14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,13,16H,7-10,12,20H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333376 (5-((4-aminopiperidin-1-yl)methyl)-N-m-tolylpyrrolo...) Show SMILES Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1 Show InChI InChI=1S/C19H24N6/c1-14-3-2-4-17(11-14)23-19-18-15(5-10-25(18)22-13-21-19)12-24-8-6-16(20)7-9-24/h2-5,10-11,13,16H,6-9,12,20H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333381 ((S)-N-(3-ethynylphenyl)-5-((morpholin-2-ylmethoxy)...) Show SMILES C#Cc1cccc(Nc2ncnn3ccc(COC[C@@H]4CNCCO4)c23)c1 |r| Show InChI InChI=1S/C20H21N5O2/c1-2-15-4-3-5-17(10-15)24-20-19-16(6-8-25(19)23-14-22-20)12-26-13-18-11-21-7-9-27-18/h1,3-6,8,10,14,18,21H,7,9,11-13H2,(H,22,23,24)/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50217191 (CHEMBL248108 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333373 (CHEMBL1645462 | [4-[[1-(3-fluorophenyl)methyl]-1H-...) Show SMILES Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r| Show InChI InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333378 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-fluoropheny...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cccc(F)c4)c23)CC1 Show InChI InChI=1S/C18H21FN6/c19-14-2-1-3-16(10-14)23-18-17-13(4-9-25(17)22-12-21-18)11-24-7-5-15(20)6-8-24/h1-4,9-10,12,15H,5-8,11,20H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333373 (CHEMBL1645462 | [4-[[1-(3-fluorophenyl)methyl]-1H-...) Show SMILES Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12 |r| Show InChI InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333383 (5-((4-aminopiperidin-1-yl)methyl)-N-(3,5-dichlorop...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cc(Cl)cc(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20Cl2N6/c19-13-7-14(20)9-16(8-13)24-18-17-12(1-6-26(17)23-11-22-18)10-25-4-2-15(21)3-5-25/h1,6-9,11,15H,2-5,10,21H2,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50217191 (CHEMBL248108 | N-(1-(3-fluorobenzyl)-1H-indazol-5-...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1 Show InChI InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)15-35-24-5-4-23(13-20(24)14-30-35)32-26-25-19(6-11-34(25)31-17-29-26)16-33-9-7-22(28)8-10-33/h1-6,11-14,17,22H,7-10,15-16,28H2,(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333380 (5-((4-aminopiperidin-1-yl)methyl)-N-phenylpyrrolo[...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccccc4)c23)CC1 Show InChI InChI=1S/C18H22N6/c19-15-7-9-23(10-8-15)12-14-6-11-24-17(14)18(20-13-21-24)22-16-4-2-1-3-5-16/h1-6,11,13,15H,7-10,12,19H2,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333377 (5-((4-aminopiperidin-1-yl)methyl)-N-p-tolylpyrrolo...) Show SMILES Cc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1 Show InChI InChI=1S/C19H24N6/c1-14-2-4-17(5-3-14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,13,16H,7-10,12,20H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					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 Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					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 Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333384 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-me...) Show SMILES COc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1Cl Show InChI InChI=1S/C19H23ClN6O/c1-27-17-3-2-15(10-16(17)20)24-19-18-13(4-9-26(18)23-12-22-19)11-25-7-5-14(21)6-8-25/h2-4,9-10,12,14H,5-8,11,21H2,1H3,(H,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50333372 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-fl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-3,8-9,11,13H,4-7,10,21H2,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG 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 Research and Development Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333383 (5-((4-aminopiperidin-1-yl)methyl)-N-(3,5-dichlorop...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4cc(Cl)cc(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20Cl2N6/c19-13-7-14(20)9-16(8-13)24-18-17-12(1-6-26(17)23-11-22-18)10-25-4-2-15(21)3-5-25/h1,6-9,11,15H,2-5,10,21H2,(H,22,23,24)	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 Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333384 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-me...) Show SMILES COc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1Cl Show InChI InChI=1S/C19H23ClN6O/c1-27-17-3-2-15(10-16(17)20)24-19-18-13(4-9-26(18)23-12-22-19)11-25-7-5-14(21)6-8-25/h2-4,9-10,12,14H,5-8,11,21H2,1H3,(H,22,23,24)	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 Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333385 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-methyl-1H-i...) Show SMILES Cn1ncc2cc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)ccc12 Show InChI InChI=1S/C20H24N8/c1-26-18-3-2-17(10-15(18)11-23-26)25-20-19-14(4-9-28(19)24-13-22-20)12-27-7-5-16(21)6-8-27/h2-4,9-11,13,16H,5-8,12,21H2,1H3,(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	360	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50333372 (5-((4-aminopiperidin-1-yl)methyl)-N-(3-chloro-4-fl...) Show SMILES NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1 Show InChI InChI=1S/C18H20ClFN6/c19-15-9-14(1-2-16(15)20)24-18-17-12(3-8-26(17)23-11-22-18)10-25-6-4-13(21)5-7-25/h1-3,8-9,11,13H,4-7,10,21H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LCK				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333382 (5-((4-aminopiperidin-1-yl)methyl)-N-o-tolylpyrrolo...) Show SMILES Cc1ccccc1Nc1ncnn2ccc(CN3CCC(N)CC3)c12 Show InChI InChI=1S/C19H24N6/c1-14-4-2-3-5-17(14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,13,16H,7-10,12,20H2,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333381 ((S)-N-(3-ethynylphenyl)-5-((morpholin-2-ylmethoxy)...) Show SMILES C#Cc1cccc(Nc2ncnn3ccc(COC[C@@H]4CNCCO4)c23)c1 |r| Show InChI InChI=1S/C20H21N5O2/c1-2-15-4-3-5-17(10-15)24-20-19-16(6-8-25(19)23-14-22-20)12-26-13-18-11-21-7-9-27-18/h1,3-6,8,10,14,18,21H,7,9,11-13H2,(H,22,23,24)/t18-/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	670	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333386 (5-((4-aminopiperidin-1-yl)methyl)-N-isopropylpyrro...) Show SMILES CC(C)Nc1ncnn2ccc(CN3CCC(N)CC3)c12 Show InChI InChI=1S/C15H24N6/c1-11(2)19-15-14-12(3-8-21(14)18-10-17-15)9-20-6-4-13(16)5-7-20/h3,8,10-11,13H,4-7,9,16H2,1-2H3,(H,17,18,19)	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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333385 (5-((4-aminopiperidin-1-yl)methyl)-N-(1-methyl-1H-i...) Show SMILES Cn1ncc2cc(Nc3ncnn4ccc(CN5CCC(N)CC5)c34)ccc12 Show InChI InChI=1S/C20H24N8/c1-26-18-3-2-17(10-15(18)11-23-26)25-20-19-14(4-9-28(19)24-13-22-20)12-27-7-5-16(21)6-8-27/h2-4,9-11,13,16H,5-8,12,21H2,1H3,(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	950	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333387 ((S)-N-(1-methyl-1H-indazol-5-yl)-5-((morpholin-2-y...) Show SMILES Cn1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 |r| Show InChI InChI=1S/C20H23N7O2/c1-26-18-3-2-16(8-15(18)9-23-26)25-20-19-14(4-6-27(19)24-13-22-20)11-28-12-17-10-21-5-7-29-17/h2-4,6,8-9,13,17,21H,5,7,10-12H2,1H3,(H,22,24,25)/t17-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50333387 ((S)-N-(1-methyl-1H-indazol-5-yl)-5-((morpholin-2-y...) Show SMILES Cn1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc12 |r| Show InChI InChI=1S/C20H23N7O2/c1-26-18-3-2-16(8-15(18)9-23-26)25-20-19-14(4-6-27(19)24-13-22-20)11-28-12-17-10-21-5-7-29-17/h2-4,6,8-9,13,17,21H,5,7,10-12H2,1H3,(H,22,24,25)/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50333386 (5-((4-aminopiperidin-1-yl)methyl)-N-isopropylpyrro...) Show SMILES CC(C)Nc1ncnn2ccc(CN3CCC(N)CC3)c12 Show InChI InChI=1S/C15H24N6/c1-11(2)19-15-14-12(3-8-21(14)18-10-17-15)9-20-6-4-13(16)5-7-20/h3,8,10-11,13H,4-7,9,16H2,1-2H3,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 21: 781-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.100 BindingDB Entry DOI: 10.7270/Q2X34XQ4
					More data for this Ligand-Target Pair