Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'alligood' and Initial = 'kj'   

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))	BDBM50182908 (1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...) Show SMILES CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN6O4S/c1-42(39,40)13-12-33-29(38)34-17-25-7-3-6-23(36-25)9-8-21-16-32-19-35-28(21)37-24-10-11-27(26(30)15-24)41-18-20-4-2-5-22(31)14-20/h2-7,10-11,14-16,19H,12-13,17-18H2,1H3,(H,32,35,37)(H2,33,34,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5445 (CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...) Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182900 (CHEMBL381604 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182891 (CHEMBL205798 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...) Show SMILES CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)35-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182891 (CHEMBL205798 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...) Show SMILES CC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-18(34)32-23-7-3-4-19(13-23)8-9-21-15-30-17-31-27(21)33-24-10-11-26(25(28)14-24)35-16-20-5-2-6-22(29)12-20/h2-7,10-15,17H,16H2,1H3,(H,32,34)(H,30,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182893 ((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...) Show SMILES OCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O2/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)31-25-18(13-28-16-29-25)7-8-20-5-2-6-22(14-32)30-20/h1-6,9-13,16,32H,14-15H2,(H,28,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182908 (1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...) Show SMILES CS(=O)(=O)CCNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H26ClFN6O4S/c1-42(39,40)13-12-33-29(38)34-17-25-7-3-6-23(36-25)9-8-21-16-32-19-35-28(21)37-24-10-11-27(26(30)15-24)41-18-20-4-2-5-22(31)14-20/h2-7,10-11,14-16,19H,12-13,17-18H2,1H3,(H,32,35,37)(H2,33,34,38)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28511 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES NC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C26H21ClFN5O3S/c27-21-10-18(5-7-23(21)35-13-15-2-1-3-16(28)8-15)33-25-24-22(31-14-32-25)11-20(37-24)6-4-17-9-19(12-30-17)36-26(29)34/h1-3,5,7-8,10-11,14,17,19,30H,9,12-13H2,(H2,29,34)(H,31,32,33)/t17-,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182906 (CHEMBL205045 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccccn3)cc2Cl)c1 Show InChI InChI=1S/C24H16ClFN4O/c25-22-13-21(9-10-23(22)31-15-17-4-3-5-19(26)12-17)30-24-18(14-27-16-29-24)7-8-20-6-1-2-11-28-20/h1-6,9-14,16H,15H2,(H,27,29,30)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28512 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C27H23ClFN5O3S/c1-30-27(35)37-20-10-18(31-13-20)5-7-21-12-23-25(38-21)26(33-15-32-23)34-19-6-8-24(22(28)11-19)36-14-16-3-2-4-17(29)9-16/h2-4,6,8-9,11-12,15,18,20,31H,10,13-14H2,1H3,(H,30,35)(H,32,33,34)/t18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28526 ((3R,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CCNC(=O)O[C@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28518 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCNCC3)cc2Cl)c1 |r| Show InChI InChI=1S/C30H28ClFN6O3S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)37-29-28-26(35-18-36-29)15-24(42-28)6-4-21-13-23(16-34-21)41-30(39)38-10-8-33-9-11-38/h1-3,5,7,12,14-15,18,21,23,33-34H,8-11,13,16-17H2,(H,35,36,37)/t21-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182892 (CHEMBL206003 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H19ClFN5O/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)32-25-18(14-29-16-30-25)7-8-20-5-2-6-22(13-28)31-20/h1-6,9-12,14,16H,13,15,28H2,(H,29,30,32)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182895 (1-((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenyla...) Show SMILES CNC(=O)NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H22ClFN6O2/c1-30-27(36)32-15-23-7-3-6-21(34-23)9-8-19-14-31-17-33-26(19)35-22-10-11-25(24(28)13-22)37-16-18-4-2-5-20(29)12-18/h2-7,10-14,17H,15-16H2,1H3,(H2,30,32,36)(H,31,33,35)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28514 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-35(2)28(36)38-21-11-19(31-14-21)6-8-22-13-24-26(39-22)27(33-16-32-24)34-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,11,14-15H2,1-2H3,(H,32,33,34)/t19-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182898 (CHEMBL206782 | methyl 5-(3-(2-(4-(4-(3-fluorobenzy...) Show SMILES COC(=O)CCCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C31H26ClFN4O4/c1-40-30(39)10-4-9-29(38)36-25-8-3-5-21(16-25)11-12-23-18-34-20-35-31(23)37-26-13-14-28(27(32)17-26)41-19-22-6-2-7-24(33)15-22/h2-3,5-8,13-18,20H,4,9-10,19H2,1H3,(H,36,38)(H,34,35,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182910 (CHEMBL205966 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-23-13-22(10-11-24(23)32-15-18-2-1-3-20(27)12-18)31-25-19(14-29-16-30-25)7-4-17-5-8-21(28)9-6-17/h1-3,5-6,8-14,16H,15,28H2,(H,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	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182898 (CHEMBL206782 | methyl 5-(3-(2-(4-(4-(3-fluorobenzy...) Show SMILES COC(=O)CCCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C31H26ClFN4O4/c1-40-30(39)10-4-9-29(38)36-25-8-3-5-21(16-25)11-12-23-18-34-20-35-31(23)37-26-13-14-28(27(32)17-26)41-19-22-6-2-7-24(33)15-22/h2-3,5-8,13-18,20H,4,9-10,19H2,1H3,(H,36,38)(H,34,35,37)	PDB MMDB KEGG 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28520 ((3S,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CCNC(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28517 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCCC3)cc2Cl)c1 |r| Show InChI InChI=1S/C30H27ClFN5O3S/c31-25-14-22(7-9-27(25)39-17-19-4-3-5-20(32)12-19)36-29-28-26(34-18-35-29)15-24(41-28)8-6-21-13-23(16-33-21)40-30(38)37-10-1-2-11-37/h3-5,7,9,12,14-15,18,21,23,33H,1-2,10-11,13,16-17H2,(H,34,35,36)/t21-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28522 ((3S,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3C[C@@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r| Show InChI InChI=1S/C30H27ClFN5O4S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)36-29-28-26(34-18-35-29)15-24(42-28)6-4-21-13-23(16-33-21)41-30(38)37-8-10-39-11-9-37/h1-3,5,7,12,14-15,18,21,23,33H,8-11,13,16-17H2,(H,34,35,36)/t21-,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28516 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CCN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C29H27ClFN5O3S/c1-3-36(2)29(37)39-22-12-20(32-15-22)7-9-23-14-25-27(40-23)28(34-17-33-25)35-21-8-10-26(24(30)13-21)38-16-18-5-4-6-19(31)11-18/h4-6,8,10-11,13-14,17,20,22,32H,3,12,15-16H2,1-2H3,(H,33,34,35)/t20-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182912 (3-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino...) Show SMILES CNC(=O)c1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C27H20ClFN4O2/c1-30-27(34)20-6-2-4-18(12-20)8-9-21-15-31-17-32-26(21)33-23-10-11-25(24(28)14-23)35-16-19-5-3-7-22(29)13-19/h2-7,10-15,17H,16H2,1H3,(H,30,34)(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28526 ((3R,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CCNC(=O)O[C@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28519 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CS(=O)(=O)CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C29H27ClFN5O5S2/c1-43(38,39)10-9-32-29(37)41-22-12-20(33-15-22)5-7-23-14-25-27(42-23)28(35-17-34-25)36-21-6-8-26(24(30)13-21)40-16-18-3-2-4-19(31)11-18/h2-4,6,8,11,13-14,17,20,22,33H,9-10,12,15-16H2,1H3,(H,32,37)(H,34,35,36)/t20-,22-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28513 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182900 (CHEMBL381604 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1nccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C23H16ClFN6O/c24-20-11-19(6-7-21(20)32-13-15-2-1-3-17(25)10-15)30-22-16(12-27-14-29-22)4-5-18-8-9-28-23(26)31-18/h1-3,6-12,14H,13H2,(H2,26,28,31)(H,27,29,30)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182907 (CHEMBL381080 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...) Show SMILES CS(=O)(=O)CCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H24ClFN4O4S/c1-40(37,38)13-12-28(36)34-24-7-3-4-20(15-24)8-9-22-17-32-19-33-29(22)35-25-10-11-27(26(30)16-25)39-18-21-5-2-6-23(31)14-21/h2-7,10-11,14-17,19H,12-13,18H2,1H3,(H,34,36)(H,32,33,35)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182904 ((5-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...) Show SMILES OCc1ccc(o1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C24H17ClFN3O3/c25-22-11-19(5-9-23(22)31-14-16-2-1-3-18(26)10-16)29-24-17(12-27-15-28-24)4-6-20-7-8-21(13-30)32-20/h1-3,5,7-12,15,30H,13-14H2,(H,27,28,29)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182910 (CHEMBL205966 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1ccc(cc1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-23-13-22(10-11-24(23)32-15-18-2-1-3-20(27)12-18)31-25-19(14-29-16-30-25)7-4-17-5-8-21(28)9-6-17/h1-3,5-6,8-14,16H,15,28H2,(H,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	36	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182892 (CHEMBL206003 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES NCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H19ClFN5O/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)32-25-18(14-29-16-30-25)7-8-20-5-2-6-22(13-28)31-20/h1-6,9-12,14,16H,13,15,28H2,(H,29,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28525 ((3S,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r| Show InChI InChI=1S/C30H27ClFN5O4S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)36-29-28-26(34-18-35-29)15-24(42-28)6-4-21-13-23(16-33-21)41-30(38)37-8-10-39-11-9-37/h1-3,5,7,12,14-15,18,21,23,33H,8-11,13,16-17H2,(H,34,35,36)/t21-,23+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28521 ((3S,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CN(C)C(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-35(2)28(36)38-21-11-19(31-14-21)6-8-22-13-24-26(39-22)27(33-16-32-24)34-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,11,14-15H2,1-2H3,(H,32,33,34)/t19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28522 ((3S,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3C[C@@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r| Show InChI InChI=1S/C30H27ClFN5O4S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)36-29-28-26(34-18-35-29)15-24(42-28)6-4-21-13-23(16-33-21)41-30(38)37-8-10-39-11-9-37/h1-3,5,7,12,14-15,18,21,23,33H,8-11,13,16-17H2,(H,34,35,36)/t21-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28521 ((3S,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CN(C)C(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-35(2)28(36)38-21-11-19(31-14-21)6-8-22-13-24-26(39-22)27(33-16-32-24)34-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,11,14-15H2,1-2H3,(H,32,33,34)/t19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28519 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CS(=O)(=O)CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C29H27ClFN5O5S2/c1-43(38,39)10-9-32-29(37)41-22-12-20(33-15-22)5-7-23-14-25-27(42-23)28(35-17-34-25)36-21-6-8-26(24(30)13-21)40-16-18-3-2-4-19(31)11-18/h2-4,6,8,11,13-14,17,20,22,33H,9-10,12,15-16H2,1H3,(H,32,37)(H,34,35,36)/t20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28511 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES NC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C26H21ClFN5O3S/c27-21-10-18(5-7-23(21)35-13-15-2-1-3-16(28)8-15)33-25-24-22(31-14-32-25)11-20(37-24)6-4-17-9-19(12-30-17)36-26(29)34/h1-3,5,7-8,10-11,14,17,19,30H,9,12-13H2,(H2,29,34)(H,31,32,33)/t17-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182893 ((6-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...) Show SMILES OCc1cccc(n1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O2/c26-23-12-21(9-10-24(23)33-15-17-3-1-4-19(27)11-17)31-25-18(13-28-16-29-25)7-8-20-5-2-6-22(14-32)30-20/h1-6,9-13,16,32H,14-15H2,(H,28,29,31)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182915 (5-(2-(1H-pyrazol-3-yl)ethynyl)-N-(4-(3-fluorobenzy...) Show SMILES Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3ccn[nH]3)cc2Cl)c1 Show InChI InChI=1S/C22H15ClFN5O/c23-20-11-19(6-7-21(20)30-13-15-2-1-3-17(24)10-15)28-22-16(12-25-14-26-22)4-5-18-8-9-27-29-18/h1-3,6-12,14H,13H2,(H,27,29)(H,25,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182896 (CHEMBL205235 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-23-13-22(9-10-24(23)32-15-18-4-1-5-20(27)11-18)31-25-19(14-29-16-30-25)8-7-17-3-2-6-21(28)12-17/h1-6,9-14,16H,15,28H2,(H,29,30,31)	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	42	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM28513 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182896 (CHEMBL205235 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-23-13-22(9-10-24(23)32-15-18-4-1-5-20(27)11-18)31-25-19(14-29-16-30-25)8-7-17-3-2-6-21(28)12-17/h1-6,9-14,16H,15,28H2,(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182899 (CHEMBL208358 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...) Show SMILES CS(=O)(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C26H20ClFN4O3S/c1-36(33,34)32-23-7-3-4-18(13-23)8-9-20-15-29-17-30-26(20)31-22-10-11-25(24(27)14-22)35-16-19-5-2-6-21(28)12-19/h2-7,10-15,17,32H,16H2,1H3,(H,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	45	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50182904 ((5-(2-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamin...) Show SMILES OCc1ccc(o1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C24H17ClFN3O3/c25-22-11-19(5-9-23(22)31-14-16-2-1-3-18(26)10-16)29-24-17(12-27-15-28-24)4-6-20-7-8-21(13-30)32-20/h1-3,5,7-12,15,30H,13-14H2,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28512 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C27H23ClFN5O3S/c1-30-27(35)37-20-10-18(31-13-20)5-7-21-12-23-25(38-21)26(33-15-32-23)34-19-6-8-24(22(28)11-19)36-14-16-3-2-4-17(29)9-16/h2-4,6,8-9,11-12,15,18,20,31H,10,13-14H2,1H3,(H,30,35)(H,32,33,34)/t18-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28516 ((3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CCN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C29H27ClFN5O3S/c1-3-36(2)29(37)39-22-12-20(32-15-22)7-9-23-14-25-27(40-23)28(34-17-33-25)35-21-8-10-26(24(30)13-21)38-16-18-5-4-6-19(31)11-18/h4-6,8,10-11,13-14,17,20,22,32H,3,12,15-16H2,1-2H3,(H,33,34,35)/t20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28520 ((3S,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES CCNC(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r| Show InChI InChI=1S/C28H25ClFN5O3S/c1-2-31-28(36)38-21-11-19(32-14-21)6-8-22-13-24-26(39-22)27(34-16-33-24)35-20-7-9-25(23(29)12-20)37-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,32H,2,11,14-15H2,1H3,(H,31,36)(H,33,34,35)/t19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM28528 ((3R,5R)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)meth...) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r| Show InChI InChI=1S/C30H27ClFN5O4S/c31-25-14-22(5-7-27(25)40-17-19-2-1-3-20(32)12-19)36-29-28-26(34-18-35-29)15-24(42-28)6-4-21-13-23(16-33-21)41-30(38)37-8-10-39-11-9-37/h1-3,5,7,12,14-15,18,21,23,33H,8-11,13,16-17H2,(H,34,35,36)/t21-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	23
GSK					Assay Description Assays were performed in 96-well polystyrene round-bottomed plates in reaction buffer containing biotinylated substrate and purified kinase in the pr...				Bioorg Med Chem Lett 19: 21-6 (2009) Article DOI: 10.1016/j.bmcl.2008.11.023 BindingDB Entry DOI: 10.7270/Q2NV9GKZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50182907 (CHEMBL381080 | N-(3-(2-(4-(4-(3-fluorobenzyloxy)-3...) Show SMILES CS(=O)(=O)CCC(=O)Nc1cccc(c1)C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C29H24ClFN4O4S/c1-40(37,38)13-12-28(36)34-24-7-3-4-20(15-24)8-9-22-17-32-19-33-29(22)35-25-10-11-27(26(30)16-25)39-18-21-5-2-6-23(31)14-21/h2-7,10-11,14-17,19H,12-13,18H2,1H3,(H,34,36)(H,32,33,35)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
					More data for this Ligand-Target Pair

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