Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'tang' and Initial = 'pc'   

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
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109275 (US8609622, 2) Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r| Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.42	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109278 (US8609622, 5) Show SMILES OC[C@]12COC(O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc3OCCc3c2)c1 |r| Show InChI InChI=1S/C22H23ClO7/c23-16-3-2-15(9-14(16)8-12-1-4-17-13(7-12)5-6-28-17)22-20(27)18(25)19(26)21(10-24,30-22)11-29-22/h1-4,7,9,18-20,24-27H,5-6,8,10-11H2/t18-,19-,20+,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139994 (US8901140, 9 | US9358227, 9) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r| Show InChI InChI=1S/C24H25ClFN5O2/c1-3-33-22-13-20-17(12-21(22)30-23(32)9-7-16-5-4-10-31(16)2)24(28-14-27-20)29-15-6-8-19(26)18(25)11-15/h6-9,11-14,16H,3-5,10H2,1-2H3,(H,30,32)(H,27,28,29)/b9-7+/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US8901140 (2014) BindingDB Entry DOI: 10.7270/Q2VX0F76
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139993 (US8901140, 8 | US9358227, 8) Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r| Show InChI InChI=1S/C25H27ClFN5O3/c1-32-9-3-4-17(32)6-8-24(33)31-22-13-18-21(14-23(22)35-11-10-34-2)28-15-29-25(18)30-16-5-7-20(27)19(26)12-16/h5-8,12-15,17H,3-4,9-11H2,1-2H3,(H,31,33)(H,28,29,30)/b8-6+/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US8901140 (2014) BindingDB Entry DOI: 10.7270/Q2VX0F76
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209856 (US9273052, 15 | US9566277, 15) Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C22H17F3N6O2/c23-22(24,25)21-29-27-18-12-30(8-9-31(18)21)20(33)14-5-3-4-13(10-14)11-17-15-6-1-2-7-16(15)19(32)28-26-17/h1-7,10H,8-9,11-12H2,(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description he assay described below is to determine the activity of the compounds of the present invention for inhibiting the enzyme activity of PARP by using t...				US Patent US9566277 (2017) BindingDB Entry DOI: 10.7270/Q2Q24279
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209856 (US9273052, 15 | US9566277, 15) Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C22H17F3N6O2/c23-22(24,25)21-29-27-18-12-30(8-9-31(18)21)20(33)14-5-3-4-13(10-14)11-17-15-6-1-2-7-16(15)19(32)28-26-17/h1-7,10H,8-9,11-12H2,(H,28,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...				US Patent US9273052 (2016) BindingDB Entry DOI: 10.7270/Q2Z60MWG
					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	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109277 (US8609622, 4) Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)C23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F |r| Show InChI InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.31	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109275 (US8609622, 2) Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r| Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.65	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139992 (US8901140, 7 | US9358227, 7) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1C |r| Show InChI InChI=1S/C24H25ClFN5O2/c1-3-33-22-13-20-17(12-21(22)30-23(32)9-7-16-5-4-10-31(16)2)24(28-14-27-20)29-15-6-8-19(26)18(25)11-15/h6-9,11-14,16H,3-5,10H2,1-2H3,(H,30,32)(H,27,28,29)/b9-7+/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US8901140 (2014) BindingDB Entry DOI: 10.7270/Q2VX0F76
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50311465 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES Cc1c([nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C27H28ClFN6O3/c1-17-24-22(33-25(17)27(36)30-7-8-35-9-11-37-12-10-35)15-31-34-26(24)32-20-5-6-23(21(28)14-20)38-16-18-3-2-4-19(29)13-18/h2-6,13-15,33H,7-12,16H2,1H3,(H,30,36)(H,32,34)	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
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109279 (US8609622, 7) Show SMILES OC[C@]12COC(O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCC(F)(F)F)cc2)c1 |r| Show InChI InChI=1S/C22H22ClF3O7/c23-16-6-3-14(22-19(30)17(28)18(29)20(9-27,33-22)10-32-22)8-13(16)7-12-1-4-15(5-2-12)31-11-21(24,25)26/h1-6,8,17-19,27-30H,7,9-11H2/t17-,18-,19+,20+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.58	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209854 (US9273052, 2 | US9566277, 2) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2cccc2C1 Show InChI InChI=1S/C23H19FN4O2/c24-20-8-7-15(13-21-17-5-1-2-6-18(17)22(29)26-25-21)12-19(20)23(30)28-11-10-27-9-3-4-16(27)14-28/h1-9,12H,10-11,13-14H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description he assay described below is to determine the activity of the compounds of the present invention for inhibiting the enzyme activity of PARP by using t...				US Patent US9566277 (2017) BindingDB Entry DOI: 10.7270/Q2Q24279
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209854 (US9273052, 2 | US9566277, 2) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2cccc2C1 Show InChI InChI=1S/C23H19FN4O2/c24-20-8-7-15(13-21-17-5-1-2-6-18(17)22(29)26-25-21)12-19(20)23(30)28-11-10-27-9-3-4-16(27)14-28/h1-9,12H,10-11,13-14H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...				US Patent US9273052 (2016) BindingDB Entry DOI: 10.7270/Q2Z60MWG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139989 (US8901140, 2 | US9358227, 2) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1 |r| Show InChI InChI=1S/C31H29ClN6O3/c1-2-40-29-16-26-24(15-27(29)38-30(39)11-9-21-7-5-13-34-21)31(20(17-33)18-36-26)37-22-8-10-28(25(32)14-22)41-19-23-6-3-4-12-35-23/h3-4,6,8-12,14-16,18,21,34H,2,5,7,13,19H2,1H3,(H,36,37)(H,38,39)/b11-9+/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US8901140 (2014) BindingDB Entry DOI: 10.7270/Q2VX0F76
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109277 (US8609622, 4) Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)C23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F |r| Show InChI InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.35	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109277 (US8609622, 4) Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)C23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F |r| Show InChI InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.92	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50311462 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2...) Show SMILES CCN(CC)CCNC(=O)c1[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1C Show InChI InChI=1S/C27H30ClFN6O2/c1-4-35(5-2)12-11-30-27(36)25-17(3)24-22(33-25)15-31-34-26(24)32-20-9-10-23(21(28)14-20)37-16-18-7-6-8-19(29)13-18/h6-10,13-15,33H,4-5,11-12,16H2,1-3H3,(H,30,36)(H,32,34)	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
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109276 (US8609622, 3) Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)C23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r| Show InChI InChI=1S/C22H23ClF2O7/c1-2-30-15-6-3-11(16(24)17(15)25)7-12-8-13(4-5-14(12)23)22-20(29)18(27)19(28)21(9-26,32-22)10-31-22/h3-6,8,18-20,26-29H,2,7,9-10H2,1H3/t18-,19-,20+,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.08	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109280 (US8609622, 9) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)C12OC[C@@](CO)(O1)[C@@H](O)[C@H](O)[C@H]2O |r| Show InChI InChI=1S/C25H25FO6S/c1-14-2-5-17(25-23(30)21(28)22(29)24(12-27,32-25)13-31-25)10-16(14)11-19-8-9-20(33-19)15-3-6-18(26)7-4-15/h2-10,21-23,27-30H,11-13H2,1H3/t21-,22-,23+,24+,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.28	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Sodium/glucose cotransporter 2 (Mus musculus (Mouse))	BDBM109274 (US8609622, 1) Show SMILES OC[C@]12CO[C@](O1)([C@H](O)[C@@H](O)[C@@H]2O)c1ccc(Cl)c(Cc2ccc(OCCOC3CC3)cc2)c1 |r| Show InChI InChI=1S/C25H29ClO8/c26-20-8-3-17(25-23(30)21(28)22(29)24(13-27,34-25)14-33-25)12-16(20)11-15-1-4-18(5-2-15)31-9-10-32-19-6-7-19/h1-5,8,12,19,21-23,27-30H,6-7,9-11,13-14H2/t21-,22-,23+,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.53	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209857 (US9273052, 19 | US9566277, 19) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2nc(nc2C1)C(F)(F)F Show InChI InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...				US Patent US9273052 (2016) BindingDB Entry DOI: 10.7270/Q2Z60MWG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209857 (US9273052, 19 | US9566277, 19) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2nc(nc2C1)C(F)(F)F Show InChI InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description he assay described below is to determine the activity of the compounds of the present invention for inhibiting the enzyme activity of PARP by using t...				US Patent US9566277 (2017) BindingDB Entry DOI: 10.7270/Q2Q24279
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139991 (US8901140, 5 | US9358227, 5) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r| Show InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US8901140 (2014) BindingDB Entry DOI: 10.7270/Q2VX0F76
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209853 (US9273052, 1 | US9566277, 1) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(C1)nnc2C(F)(F)F Show InChI InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-27-17)9-15(16)20(34)31-7-8-32-18(11-31)28-30-21(32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD 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	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description he assay described below is to determine the activity of the compounds of the present invention for inhibiting the enzyme activity of PARP by using t...				US Patent US9566277 (2017) BindingDB Entry DOI: 10.7270/Q2Q24279
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209853 (US9273052, 1 | US9566277, 1) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(C1)nnc2C(F)(F)F Show InChI InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-27-17)9-15(16)20(34)31-7-8-32-18(11-31)28-30-21(32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD 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	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...				US Patent US9273052 (2016) BindingDB Entry DOI: 10.7270/Q2Z60MWG
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139988 (US8901140, 1 | US9358227, 1) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1C |r| Show InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US8901140 (2014) BindingDB Entry DOI: 10.7270/Q2VX0F76
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209855 (US9273052, 3 | US9566277, 3) Show SMILES COC(=O)c1nc(n2CCN(Cc12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(F)(F)F Show InChI InChI=1S/C25H19F4N5O4/c1-38-23(37)20-19-12-33(8-9-34(19)24(30-20)25(27,28)29)22(36)16-10-13(6-7-17(16)26)11-18-14-4-2-3-5-15(14)21(35)32-31-18/h2-7,10H,8-9,11-12H2,1H3,(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...				US Patent US9273052 (2016) BindingDB Entry DOI: 10.7270/Q2Z60MWG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM209855 (US9273052, 3 | US9566277, 3) Show SMILES COC(=O)c1nc(n2CCN(Cc12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(F)(F)F Show InChI InChI=1S/C25H19F4N5O4/c1-38-23(37)20-19-12-33(8-9-34(19)24(30-20)25(27,28)29)22(36)16-10-13(6-7-17(16)26)11-18-14-4-2-3-5-15(14)21(35)32-31-18/h2-7,10H,8-9,11-12H2,1H3,(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	25
Jiangsu Hansoh Pharmaceutical Co., Ltd. US Patent					Assay Description he assay described below is to determine the activity of the compounds of the present invention for inhibiting the enzyme activity of PARP by using t...				US Patent US9566277 (2017) BindingDB Entry DOI: 10.7270/Q2Q24279
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM139990 (US8901140, 3 | US9358227, 3) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1C[C@@H](O)CN1C |r| Show InChI InChI=1S/C32H31ClN6O4/c1-3-42-30-15-27-25(14-28(30)38-31(41)10-8-23-13-24(40)18-39(23)2)32(20(16-34)17-36-27)37-21-7-9-29(26(33)12-21)43-19-22-6-4-5-11-35-22/h4-12,14-15,17,23-24,40H,3,13,18-19H2,1-2H3,(H,36,37)(H,38,41)/b10-8+/t23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd. US Patent					Assay Description The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...				US Patent US8901140 (2014) BindingDB Entry DOI: 10.7270/Q2VX0F76
					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	124	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 in human SKBR3 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					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	140	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50311464 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES CN1CCN(CCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1 Show InChI InChI=1S/C28H31ClFN7O2/c1-18-25-23(34-26(18)28(38)31-8-9-37-12-10-36(2)11-13-37)16-32-35-27(25)33-21-6-7-24(22(29)15-21)39-17-19-4-3-5-20(30)14-19/h3-7,14-16,34H,8-13,17H2,1-2H3,(H,31,38)(H,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	257	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	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	420	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair				3D Structure (crystal)
SGLT1 protein (Mus musculus (Mouse))	BDBM109275 (US8609622, 2) Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@]23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)c(F)c1F |r| Show InChI InChI=1S/C21H21ClF2O7/c1-29-14-5-2-10(15(23)16(14)24)6-11-7-12(3-4-13(11)22)21-19(28)17(26)18(27)20(8-25,31-21)9-30-21/h2-5,7,17-19,25-28H,6,8-9H2,1H3/t17-,18-,19+,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50311469 (7-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2...) Show SMILES Fc1cccc(COc2ccc(Nc3nncc4cc([nH]c34)C(=O)NCCN3CCCC3)cc2Cl)c1 Show InChI InChI=1S/C26H26ClFN6O2/c27-21-14-20(6-7-23(21)36-16-17-4-3-5-19(28)12-17)31-25-24-18(15-30-33-25)13-22(32-24)26(35)29-8-11-34-9-1-2-10-34/h3-7,12-15,32H,1-2,8-11,16H2,(H,29,35)(H,31,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 in human SKBR3 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50311464 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES CN1CCN(CCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1 Show InChI InChI=1S/C28H31ClFN7O2/c1-18-25-23(34-26(18)28(38)31-8-9-37-12-10-36(2)11-13-37)16-32-35-27(25)33-21-6-7-24(22(29)15-21)39-17-19-4-3-5-20(30)14-19/h3-7,14-16,34H,8-13,17H2,1-2H3,(H,31,38)(H,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	843	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 in human SKBR3 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50311466 (4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-...) Show SMILES Cc1c([nH]c2cnnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C26H28ClN7O3/c1-17-23-21(32-24(17)26(35)29-8-9-34-10-12-36-13-11-34)15-30-33-25(23)31-18-5-6-22(20(27)14-18)37-16-19-4-2-3-7-28-19/h2-7,14-15,32H,8-13,16H2,1H3,(H,29,35)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	867	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50311467 (CHEMBL1080990 | ethyl 4-(3-chloro-4-(3-fluorobenzy...) Show SMILES CCOC(=O)c1[nH]c(C)c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12 Show InChI InChI=1S/C23H20ClFN4O3/c1-3-31-23(30)21-20-17(13(2)27-21)11-26-29-22(20)28-16-7-8-19(18(24)10-16)32-12-14-5-4-6-15(25)9-14/h4-11,27H,3,12H2,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	934	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 in human SKBR3 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50311462 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2...) Show SMILES CCN(CC)CCNC(=O)c1[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1C Show InChI InChI=1S/C27H30ClFN6O2/c1-4-35(5-2)12-11-30-27(36)25-17(3)24-22(33-25)15-31-34-26(24)32-20-9-10-23(21(28)14-20)37-16-18-7-6-8-19(29)13-18/h6-10,13-15,33H,4-5,11-12,16H2,1-3H3,(H,30,36)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 in human SKBR3 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50311463 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES CN1CCN(CCCNC(=O)c2[nH]c3cnnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2C)CC1 Show InChI InChI=1S/C29H33ClFN7O2/c1-19-26-24(35-27(19)29(39)32-9-4-10-38-13-11-37(2)12-14-38)17-33-36-28(26)34-22-7-8-25(23(30)16-22)40-18-20-5-3-6-21(31)15-20/h3,5-8,15-17,35H,4,9-14,18H2,1-2H3,(H,32,39)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50311462 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2...) Show SMILES CCN(CC)CCNC(=O)c1[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1C Show InChI InChI=1S/C27H30ClFN6O2/c1-4-35(5-2)12-11-30-27(36)25-17(3)24-22(33-25)15-31-34-26(24)32-20-9-10-23(21(28)14-20)37-16-18-7-6-8-19(29)13-18/h6-10,13-15,33H,4-5,11-12,16H2,1-3H3,(H,30,36)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50311467 (CHEMBL1080990 | ethyl 4-(3-chloro-4-(3-fluorobenzy...) Show SMILES CCOC(=O)c1[nH]c(C)c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12 Show InChI InChI=1S/C23H20ClFN4O3/c1-3-31-23(30)21-20-17(13(2)27-21)11-26-29-22(20)28-16-7-8-19(18(24)10-16)32-12-14-5-4-6-15(25)9-14/h4-11,27H,3,12H2,1-2H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
SGLT1 protein (Mus musculus (Mouse))	BDBM109277 (US8609622, 4) Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)C23OC[C@@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1F |r| Show InChI InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
SGLT1 protein (Mus musculus (Mouse))	BDBM109280 (US8609622, 9) Show SMILES Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)C12OC[C@@](CO)(O1)[C@@H](O)[C@H](O)[C@H]2O |r| Show InChI InChI=1S/C25H25FO6S/c1-14-2-5-17(25-23(30)21(28)22(29)24(12-27,32-25)13-31-25)10-16(14)11-19-8-9-20(33-19)15-3-6-18(26)7-4-15/h2-10,21-23,27-30H,11-13H2,1H3/t21-,22-,23+,24+,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd.; Jiangsu Hengrui Medicine Co., Ltd. US Patent					Assay Description Inhibitory activity of the compounds using SGLT1 and SGLT2.				US Patent US8609622 (2013) BindingDB Entry DOI: 10.7270/Q2BC3X6H
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50311462 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-N-(2...) Show SMILES CCN(CC)CCNC(=O)c1[nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1C Show InChI InChI=1S/C27H30ClFN6O2/c1-4-35(5-2)12-11-30-27(36)25-17(3)24-22(33-25)15-31-34-26(24)32-20-9-10-23(21(28)14-20)37-16-18-7-6-8-19(29)13-18/h6-10,13-15,33H,4-5,11-12,16H2,1-3H3,(H,30,36)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of EGFR by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	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	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	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	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 in human SKBR3 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair

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