Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'long' and Initial = 'w'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.458	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	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 US Patent	n/a	n/a	<0.508	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	<0.510	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391089 (BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...) Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.23	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391089 (BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...) Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.23	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391089 (BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...) Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Betapharma Curated by ChEMBL					Assay Description Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis				Bioorg Med Chem Lett 22: 6301-5 (2012) Article DOI: 10.1016/j.bmcl.2012.06.067 BindingDB Entry DOI: 10.7270/Q2NP25HZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391086 (CHEMBL2087358) Show SMILES Clc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 Show InChI InChI=1S/C20H20ClN3O4/c21-14-2-1-3-15(10-14)24-20-16-11-18-19(12-17(16)22-13-23-20)28-9-7-26-5-4-25-6-8-27-18/h1-3,10-13H,4-9H2,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Betapharma Curated by ChEMBL					Assay Description Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis				Bioorg Med Chem Lett 22: 6301-5 (2012) Article DOI: 10.1016/j.bmcl.2012.06.067 BindingDB Entry DOI: 10.7270/Q2NP25HZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391088 (CHEMBL2087360) Show SMILES Fc1ccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)cc1Cl Show InChI InChI=1S/C20H19ClFN3O4/c21-15-9-13(1-2-16(15)22)25-20-14-10-18-19(11-17(14)23-12-24-20)29-8-6-27-4-3-26-5-7-28-18/h1-2,9-12H,3-8H2,(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	2	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Betapharma Curated by ChEMBL					Assay Description Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis				Bioorg Med Chem Lett 22: 6301-5 (2012) Article DOI: 10.1016/j.bmcl.2012.06.067 BindingDB Entry DOI: 10.7270/Q2NP25HZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM50391089 (BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...) Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.02	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM50391089 (BPI-2009 | CHEMBL2087361 | Conmana | Icotinib | Lc...) Show SMILES C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 Show InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.02	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270538 (US10059688, Example 4 | US9783524, Example 4) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(N)=O)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C26H30ClN7O3/c1-33(2)16-10-12-34(13-11-16)17-8-9-21(22(14-17)37-3)31-26-29-15-19(27)25(32-26)30-20-7-5-4-6-18(20)23(35)24(28)36/h4-9,14-16H,10-13H2,1-3H3,(H2,28,36)(H2,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.08	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270538 (US10059688, Example 4 | US9783524, Example 4) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(N)=O)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C26H30ClN7O3/c1-33(2)16-10-12-34(13-11-16)17-8-9-21(22(14-17)37-3)31-26-29-15-19(27)25(32-26)30-20-7-5-4-6-18(20)23(35)24(28)36/h4-9,14-16H,10-13H2,1-3H3,(H2,28,36)(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.08	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270544 (2-(2-(5-chloro-2-(4-(4- (dimethylamino)piperidin- ...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)19-12-14-36(15-13-19)23-11-10-18(16-24(23)39-5)31-28-30-17-21(29)26(33-28)32-22-9-7-6-8-20(22)25(37)27(38)35(3)4/h6-11,16-17,19H,12-15H2,1-5H3,(H2,30,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.92	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270544 (2-(2-(5-chloro-2-(4-(4- (dimethylamino)piperidin- ...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)19-12-14-36(15-13-19)23-11-10-18(16-24(23)39-5)31-28-30-17-21(29)26(33-28)32-22-9-7-6-8-20(22)25(37)27(38)35(3)4/h6-11,16-17,19H,12-15H2,1-5H3,(H2,30,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.92	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391090 (CHEMBL2087356) Show SMILES Brc1cccc(Nc2ncnc3cc4OCCOCOCOCCOc4cc23)c1 Show InChI InChI=1S/C20H20BrN3O5/c21-14-2-1-3-15(8-14)24-20-16-9-18-19(10-17(16)22-11-23-20)29-7-5-26-13-27-12-25-4-6-28-18/h1-3,8-11H,4-7,12-13H2,(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Betapharma Curated by ChEMBL					Assay Description Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis				Bioorg Med Chem Lett 22: 6301-5 (2012) Article DOI: 10.1016/j.bmcl.2012.06.067 BindingDB Entry DOI: 10.7270/Q2NP25HZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391084 (CHEMBL2087355) Show SMILES Brc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 Show InChI InChI=1S/C20H20BrN3O4/c21-14-2-1-3-15(10-14)24-20-16-11-18-19(12-17(16)22-13-23-20)28-9-7-26-5-4-25-6-8-27-18/h1-3,10-13H,4-9H2,(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Betapharma Curated by ChEMBL					Assay Description Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis				Bioorg Med Chem Lett 22: 6301-5 (2012) Article DOI: 10.1016/j.bmcl.2012.06.067 BindingDB Entry DOI: 10.7270/Q2NP25HZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270544 (2-(2-(5-chloro-2-(4-(4- (dimethylamino)piperidin- ...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)19-12-14-36(15-13-19)23-11-10-18(16-24(23)39-5)31-28-30-17-21(29)26(33-28)32-22-9-7-6-8-20(22)25(37)27(38)35(3)4/h6-11,16-17,19H,12-15H2,1-5H3,(H2,30,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.13	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270544 (2-(2-(5-chloro-2-(4-(4- (dimethylamino)piperidin- ...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)19-12-14-36(15-13-19)23-11-10-18(16-24(23)39-5)31-28-30-17-21(29)26(33-28)32-22-9-7-6-8-20(22)25(37)27(38)35(3)4/h6-11,16-17,19H,12-15H2,1-5H3,(H2,30,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.13	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391085 (CHEMBL2087357) Show SMILES Brc1cccc(Nc2ncnc3cc4OCCSCCOc4cc23)c1 Show InChI InChI=1S/C18H16BrN3O2S/c19-12-2-1-3-13(8-12)22-18-14-9-16-17(10-15(14)20-11-21-18)24-5-7-25-6-4-23-16/h1-3,8-11H,4-7H2,(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	7	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Betapharma Curated by ChEMBL					Assay Description Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis				Bioorg Med Chem Lett 22: 6301-5 (2012) Article DOI: 10.1016/j.bmcl.2012.06.067 BindingDB Entry DOI: 10.7270/Q2NP25HZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270538 (US10059688, Example 4 | US9783524, Example 4) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(N)=O)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C26H30ClN7O3/c1-33(2)16-10-12-34(13-11-16)17-8-9-21(22(14-17)37-3)31-26-29-15-19(27)25(32-26)30-20-7-5-4-6-18(20)23(35)24(28)36/h4-9,14-16H,10-13H2,1-3H3,(H2,28,36)(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.52	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270538 (US10059688, Example 4 | US9783524, Example 4) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(N)=O)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C26H30ClN7O3/c1-33(2)16-10-12-34(13-11-16)17-8-9-21(22(14-17)37-3)31-26-29-15-19(27)25(32-26)30-20-7-5-4-6-18(20)23(35)24(28)36/h4-9,14-16H,10-13H2,1-3H3,(H2,28,36)(H2,29,30,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.52	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50391087 (CHEMBL2087359) Show SMILES Brc1cccc(Nc2ncnc3cc4OCCCSCCCOc4cc23)c1 Show InChI InChI=1S/C20H20BrN3O2S/c21-14-4-1-5-15(10-14)24-20-16-11-18-19(12-17(16)22-13-23-20)26-7-3-9-27-8-2-6-25-18/h1,4-5,10-13H,2-3,6-9H2,(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	8	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang Betapharma Curated by ChEMBL					Assay Description Inhibition of EGFR using GST-Crk as substrate assessed as phosphorylated Crk level after 20 mins by SDS-PAGE analysis				Bioorg Med Chem Lett 22: 6301-5 (2012) Article DOI: 10.1016/j.bmcl.2012.06.067 BindingDB Entry DOI: 10.7270/Q2NP25HZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270543 (US10059688, Example 115 | US9783524, Example 115) Show SMILES CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C Show InChI InChI=1S/C27H30ClN7O4/c1-6-23(36)31-21-15-17(11-12-22(21)39-14-13-34(2)3)30-27-29-16-19(28)25(33-27)32-20-10-8-7-9-18(20)24(37)26(38)35(4)5/h6-12,15-16H,1,13-14H2,2-5H3,(H,31,36)(H2,29,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.62	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514) 1. 2.5 uL-4x Test Compound or 100 nL 100x plus 2.4...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270543 (US10059688, Example 115 | US9783524, Example 115) Show SMILES CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C Show InChI InChI=1S/C27H30ClN7O4/c1-6-23(36)31-21-15-17(11-12-22(21)39-14-13-34(2)3)30-27-29-16-19(28)25(33-27)32-20-10-8-7-9-18(20)24(37)26(38)35(4)5/h6-12,15-16H,1,13-14H2,2-5H3,(H,31,36)(H2,29,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.62	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM344704 (Compound 74 | US9783524, Example 74) Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C29H33ClN8O4/c1-6-25(39)32-21-15-22(24(42-5)16-23(21)38-13-11-37(4)12-14-38)34-29-31-17-19(30)27(35-29)33-20-10-8-7-9-18(20)26(40)28(41)36(2)3/h6-10,15-17H,1,11-14H2,2-5H3,(H,32,39)(H2,31,33,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.33	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514) 1. 2.5 uL-4x Test Compound or 100 nL 100x plus 2.4...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270541 (US10059688, Example 74) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C16H14Cl2N2O2/c1-20(2)16(22)15(21)11-5-3-4-6-13(11)19-14-9-10(17)7-8-12(14)18/h3-9,19H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.33	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270544 (2-(2-(5-chloro-2-(4-(4- (dimethylamino)piperidin- ...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)19-12-14-36(15-13-19)23-11-10-18(16-24(23)39-5)31-28-30-17-21(29)26(33-28)32-22-9-7-6-8-20(22)25(37)27(38)35(3)4/h6-11,16-17,19H,12-15H2,1-5H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514) 1. 2.5 uL-4x Test Compound or 100 nL 100x plus 2.4...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270544 (2-(2-(5-chloro-2-(4-(4- (dimethylamino)piperidin- ...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H34ClN7O3/c1-34(2)19-12-14-36(15-13-19)23-11-10-18(16-24(23)39-5)31-28-30-17-21(29)26(33-28)32-22-9-7-6-8-20(22)25(37)27(38)35(3)4/h6-11,16-17,19H,12-15H2,1-5H3,(H2,30,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270543 (US10059688, Example 115 | US9783524, Example 115) Show SMILES CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C Show InChI InChI=1S/C27H30ClN7O4/c1-6-23(36)31-21-15-17(11-12-22(21)39-14-13-34(2)3)30-27-29-16-19(28)25(33-27)32-20-10-8-7-9-18(20)24(37)26(38)35(4)5/h6-12,15-16H,1,13-14H2,2-5H3,(H,31,36)(H2,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270539 (2-(2-(5-chloro-2-(3-methoxy- 4-(4-methylpiperazin-...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H30ClN7O3/c1-32(2)25(36)23(35)18-7-5-6-8-20(18)30-24-19(27)16-28-26(31-24)29-17-9-10-21(22(15-17)37-4)34-13-11-33(3)12-14-34/h5-10,15-16H,11-14H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270543 (US10059688, Example 115 | US9783524, Example 115) Show SMILES CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C Show InChI InChI=1S/C27H30ClN7O4/c1-6-23(36)31-21-15-17(11-12-22(21)39-14-13-34(2)3)30-27-29-16-19(28)25(33-27)32-20-10-8-7-9-18(20)24(37)26(38)35(4)5/h6-12,15-16H,1,13-14H2,2-5H3,(H,31,36)(H2,29,30,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270539 (2-(2-(5-chloro-2-(3-methoxy- 4-(4-methylpiperazin-...) Show SMILES COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCN(C)CC1 Show InChI InChI=1S/C26H30ClN7O3/c1-32(2)25(36)23(35)18-7-5-6-8-20(18)30-24-19(27)16-28-26(31-24)29-17-9-10-21(22(15-17)37-4)34-13-11-33(3)12-14-34/h5-10,15-16H,11-14H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.2	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514) 1. 2.5 uL-4x Test Compound or 100 nL 100x plus 2.4...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270542 (2-(2-(2-(4-acryloyl-3,4- dihydro-2H-benzo[b][1,4] ...) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3OCCN(C(=O)C=C)c3c2)ncc1Cl Show InChI InChI=1S/C25H23ClN6O4/c1-4-21(33)32-11-12-36-20-10-9-15(13-19(20)32)28-25-27-14-17(26)23(30-25)29-18-8-6-5-7-16(18)22(34)24(35)31(2)3/h4-10,13-14H,1,11-12H2,2-3H3,(H2,27,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.7	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270542 (2-(2-(2-(4-acryloyl-3,4- dihydro-2H-benzo[b][1,4] ...) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3OCCN(C(=O)C=C)c3c2)ncc1Cl Show InChI InChI=1S/C25H23ClN6O4/c1-4-21(33)32-11-12-36-20-10-9-15(13-19(20)32)28-25-27-14-17(26)23(30-25)29-18-8-6-5-7-16(18)22(34)24(35)31(2)3/h4-10,13-14H,1,11-12H2,2-3H3,(H2,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270542 (2-(2-(2-(4-acryloyl-3,4- dihydro-2H-benzo[b][1,4] ...) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3OCCN(C(=O)C=C)c3c2)ncc1Cl Show InChI InChI=1S/C25H23ClN6O4/c1-4-21(33)32-11-12-36-20-10-9-15(13-19(20)32)28-25-27-14-17(26)23(30-25)29-18-8-6-5-7-16(18)22(34)24(35)31(2)3/h4-10,13-14H,1,11-12H2,2-3H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270540 (N-(3-(5-chloro-4-(2-(2- (dimethylamino)-2-oxoacety...) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C24H23ClN6O4/c1-5-20(32)27-14-10-11-19(35-4)18(12-14)29-24-26-13-16(25)22(30-24)28-17-9-7-6-8-15(17)21(33)23(34)31(2)3/h5-13H,1H2,2-4H3,(H,27,32)(H2,26,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270542 (2-(2-(2-(4-acryloyl-3,4- dihydro-2H-benzo[b][1,4] ...) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1nc(Nc2ccc3OCCN(C(=O)C=C)c3c2)ncc1Cl Show InChI InChI=1S/C25H23ClN6O4/c1-4-21(33)32-11-12-36-20-10-9-15(13-19(20)32)28-25-27-14-17(26)23(30-25)29-18-8-6-5-7-16(18)22(34)24(35)31(2)3/h4-10,13-14H,1,11-12H2,2-3H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514) 1. 2.5 uL-4x Test Compound or 100 nL 100x plus 2.4...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270540 (N-(3-(5-chloro-4-(2-(2- (dimethylamino)-2-oxoacety...) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C24H23ClN6O4/c1-5-20(32)27-14-10-11-19(35-4)18(12-14)29-24-26-13-16(25)22(30-24)28-17-9-7-6-8-15(17)21(33)23(34)31(2)3/h5-13H,1H2,2-4H3,(H,27,32)(H2,26,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.4	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM344704 (Compound 74 | US9783524, Example 74) Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C29H33ClN8O4/c1-6-25(39)32-21-15-22(24(42-5)16-23(21)38-13-11-37(4)12-14-38)34-29-31-17-19(30)27(35-29)33-20-10-8-7-9-18(20)26(40)28(41)36(2)3/h6-10,15-17H,1,11-14H2,2-5H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM344704 (Compound 74 | US9783524, Example 74) Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C29H33ClN8O4/c1-6-25(39)32-21-15-22(24(42-5)16-23(21)38-13-11-37(4)12-14-38)34-29-31-17-19(30)27(35-29)33-20-10-8-7-9-18(20)26(40)28(41)36(2)3/h6-10,15-17H,1,11-14H2,2-5H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270541 (US10059688, Example 74) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C16H14Cl2N2O2/c1-20(2)16(22)15(21)11-5-3-4-6-13(11)19-14-9-10(17)7-8-12(14)18/h3-9,19H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M] (Homo sapiens (Human))	BDBM270541 (US10059688, Example 74) Show SMILES CN(C)C(=O)C(=O)c1ccccc1Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C16H14Cl2N2O2/c1-20(2)16(22)15(21)11-5-3-4-6-13(11)19-14-9-10(17)7-8-12(14)18/h3-9,19H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM149404 (AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270540 (N-(3-(5-chloro-4-(2-(2- (dimethylamino)-2-oxoacety...) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C24H23ClN6O4/c1-5-20(32)27-14-10-11-19(35-4)18(12-14)29-24-26-13-16(25)22(30-24)28-17-9-7-6-8-15(17)21(33)23(34)31(2)3/h5-13H,1H2,2-4H3,(H,27,32)(H2,26,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM270540 (N-(3-(5-chloro-4-(2-(2- (dimethylamino)-2-oxoacety...) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C24H23ClN6O4/c1-5-20(32)27-14-10-11-19(35-4)18(12-14)29-24-26-13-16(25)22(30-24)28-17-9-7-6-8-15(17)21(33)23(34)31(2)3/h5-13H,1H2,2-4H3,(H,27,32)(H2,26,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514) 1. 2.5 uL-4x Test Compound or 100 nL 100x plus 2.4...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270543 (US10059688, Example 115 | US9783524, Example 115) Show SMILES CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C Show InChI InChI=1S/C27H30ClN7O4/c1-6-23(36)31-21-15-17(11-12-22(21)39-14-13-34(2)3)30-27-29-16-19(28)25(33-27)32-20-10-8-7-9-18(20)24(37)26(38)35(4)5/h6-12,15-16H,1,13-14H2,2-5H3,(H,31,36)(H2,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270540 (N-(3-(5-chloro-4-(2-(2- (dimethylamino)-2-oxoacety...) Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1 Show InChI InChI=1S/C24H23ClN6O4/c1-5-20(32)27-14-10-11-19(35-4)18(12-14)29-24-26-13-16(25)22(30-24)28-17-9-7-6-8-15(17)21(33)23(34)31(2)3/h5-13H,1H2,2-4H3,(H,27,32)(H2,26,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.9	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...				US Patent US9783524 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WCB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM270543 (US10059688, Example 115 | US9783524, Example 115) Show SMILES CN(C)CCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)cc1NC(=O)C=C Show InChI InChI=1S/C27H30ClN7O4/c1-6-23(36)31-21-15-17(11-12-22(21)39-14-13-34(2)3)30-27-29-16-19(28)25(33-27)32-20-10-8-7-9-18(20)24(37)26(38)35(4)5/h6-12,15-16H,1,13-14H2,2-5H3,(H,31,36)(H2,29,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
BETTA PHARMACEUTICALS CO., LTD. US Patent					Assay Description TBD				US Patent US10059688 (2018) BindingDB Entry DOI: 10.7270/Q2PV6NDZ
					More data for this Ligand-Target Pair

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