Compile Data Set for Download or QSAR

Found 368 hits Enz. Inhib. hit(s) with all data for entry = 167   

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 [T790M,L858R] (Homo sapiens (Human))	BDBM200809 (US9670231, 2.6) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H31F3N6O4/c1-2-39-9-11-40(12-10-39)16-18-4-3-17(13-22(18)31(32,33)34)29(41)37-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)15-36-30(42)38-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,37,41)(H2,35,36,38,42)/t25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0760	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM199995 (US9670231, 1.3 | US9670231, 1.34) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40)/t26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0790	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200810 (US9670231, 2.7) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H29F3N6O4/c1-38-8-10-39(11-9-38)15-17-3-2-16(12-21(17)30(31,32)33)28(40)36-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)14-35-29(41)37-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,36,40)(H2,34,35,37,41)/t24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0840	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200809 (US9670231, 2.6) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H31F3N6O4/c1-2-39-9-11-40(12-10-39)16-18-4-3-17(13-22(18)31(32,33)34)29(41)37-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)15-36-30(42)38-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,37,41)(H2,35,36,38,42)/t25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0850	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM199995 (US9670231, 1.3 | US9670231, 1.34) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40)/t26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0880	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM199967 (BDBM200762 | US9670231, 1.1) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM199967 (BDBM200762 | US9670231, 1.1) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200501 (US9670231, 1.29) Show SMILES C[C@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-16-14-39(11-10-35-16)15-18-3-2-17(12-22(18)31(32,33)34)30(41)38-27-26-21-13-19(4-6-23(21)43-28(26)27)42-24-8-9-36-29-20(24)5-7-25(40)37-29/h2-4,6,8-9,12-13,16,26-28,35H,5,7,10-11,14-15H2,1H3,(H,38,41)(H,36,37,40)/t16-,26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200810 (US9670231, 2.7) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H29F3N6O4/c1-38-8-10-39(11-9-38)15-17-3-2-16(12-21(17)30(31,32)33)28(40)36-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)14-35-29(41)37-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,36,40)(H2,34,35,37,41)/t24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM200517 (US9670231, 1.39) Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C24H18FN3O4/c25-13-3-1-2-12(10-13)24(30)28-21-20-16-11-14(4-6-17(16)32-22(20)21)31-18-8-9-26-23-15(18)5-7-19(29)27-23/h1-4,6,8-11,20-22H,5,7H2,(H,28,30)(H,26,27,29)/t20-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200497 (US9670231, 1.25) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200336 (US9670231, 1.12) Show SMILES FC(F)(F)c1cc(ccc1CN1CCN2CCC[C@@H]2C1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C33H32F3N5O4/c34-33(35,36)24-14-18(3-4-19(24)16-40-12-13-41-11-1-2-20(41)17-40)32(43)39-29-28-23-15-21(5-7-25(23)45-30(28)29)44-26-9-10-37-31-22(26)6-8-27(42)38-31/h3-5,7,9-10,14-15,20,28-30H,1-2,6,8,11-13,16-17H2,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200793 (US9670231, 1.74) Show SMILES CCN1CCC(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C33H33F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,16-18,28-30H,2,6,8,10-11,13-15H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200795 (US9670231, 1.75) Show SMILES [#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1C(F)(F)F)-[#6](=O)-[#7]-[#6@@H]-1-[#6@H]-2-[#8]-c3ccc(-[#8]-c4ccnc5-[#7]-[#6](=O)-[#6]-[#6]-c45)cc3-[#6@@H]-1-2 |r| Show InChI InChI=1S/C33H31F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,15-17,28-30H,2,6,8,10-11,13-14H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200793 (US9670231, 1.74) Show SMILES CCN1CCC(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C33H33F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,16-18,28-30H,2,6,8,10-11,13-15H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200548 (US9670231, 1.51) Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C31H29F3N4O5/c1-38-12-9-17(10-13-38)41-24-5-2-16(14-21(24)31(32,33)34)30(40)37-27-26-20-15-18(3-6-22(20)43-28(26)27)42-23-8-11-35-29-19(23)4-7-25(39)36-29/h2-3,5-6,8,11,14-15,17,26-28H,4,7,9-10,12-13H2,1H3,(H,37,40)(H,35,36,39)/t26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200336 (US9670231, 1.12) Show SMILES FC(F)(F)c1cc(ccc1CN1CCN2CCC[C@@H]2C1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C33H32F3N5O4/c34-33(35,36)24-14-18(3-4-19(24)16-40-12-13-41-11-1-2-20(41)17-40)32(43)39-29-28-23-15-21(5-7-25(23)45-30(28)29)44-26-9-10-37-31-22(26)6-8-27(42)38-31/h3-5,7,9-10,14-15,20,28-30H,1-2,6,8,11-13,16-17H2,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200490 (US9670231, 1.22) Show SMILES CN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H30ClN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200491 (US9670231, 1.23) Show SMILES CN1CCN(Cc2ccc(cc2Br)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H30BrN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200548 (US9670231, 1.51) Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C31H29F3N4O5/c1-38-12-9-17(10-13-38)41-24-5-2-16(14-21(24)31(32,33)34)30(40)37-27-26-20-15-18(3-6-22(20)43-28(26)27)42-23-8-11-35-29-19(23)4-7-25(39)36-29/h2-3,5-6,8,11,14-15,17,26-28H,4,7,9-10,12-13H2,1H3,(H,37,40)(H,35,36,39)/t26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200800 (US9670231, 2.1) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H30F3N5O5/c1-2-38-9-11-39(12-10-38)15-18-4-3-17(13-22(18)31(32,33)34)29(40)36-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)16-42-30(41)37-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,36,40)(H,35,37,41)/t25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM199967 (BDBM200762 | US9670231, 1.1) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM200497 (US9670231, 1.25) Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200478 (US9670231, 1.18) Show SMILES CCN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H32ClN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200477 (US9670231, 1.17) Show SMILES OCCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O5/c33-32(34,35)23-15-18(1-2-19(23)17-40-11-9-39(10-12-40)13-14-41)31(43)38-28-27-22-16-20(3-5-24(22)45-29(27)28)44-25-7-8-36-30-21(25)4-6-26(42)37-30/h1-3,5,7-8,15-16,27-29,41H,4,6,9-14,17H2,(H,38,43)(H,36,37,42)/t27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200795 (US9670231, 1.75) Show SMILES [#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1C(F)(F)F)-[#6](=O)-[#7]-[#6@@H]-1-[#6@H]-2-[#8]-c3ccc(-[#8]-c4ccnc5-[#7]-[#6](=O)-[#6]-[#6]-c45)cc3-[#6@@H]-1-2 |r| Show InChI InChI=1S/C33H31F3N4O4/c1-2-40-13-10-18(11-14-40)15-19-3-4-20(16-24(19)33(34,35)36)32(42)39-29-28-23-17-21(5-7-25(23)44-30(28)29)43-26-9-12-37-31-22(26)6-8-27(41)38-31/h3-5,7,9,12,15-17,28-30H,2,6,8,10-11,13-14H2,1H3,(H,39,42)(H,37,38,41)/t28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200488 (US9670231, 1.20) Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-10-13-41(14-11-20)17-19-4-3-18(15-24(19)33(34,35)36)32(43)39-29-28-23-16-21(5-7-25(23)45-30(28)29)44-26-9-12-37-31-22(26)6-8-27(42)38-31/h3-5,7,9,12,15-16,20,28-30H,6,8,10-11,13-14,17H2,1-2H3,(H,39,43)(H,37,38,42)/t28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200487 (US9670231, 1.19) Show SMILES CCN1CCN(Cc2ccc(cc2Br)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H32BrN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200489 (US9670231, 1.21) Show SMILES CN1CCN(Cc2ccc(cc2F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H30FN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200801 (US9670231, 2.2) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H28F3N5O5/c1-37-8-10-38(11-9-37)14-17-3-2-16(12-21(17)30(31,32)33)28(39)35-25-24-19-13-18(4-5-22(19)43-26(24)25)42-23-6-7-34-27-20(23)15-41-29(40)36-27/h2-7,12-13,24-26H,8-11,14-15H2,1H3,(H,35,39)(H,34,36,40)/t24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200218 (US9670231, 1.9) Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)19-10-12-40(16-19)15-18-4-3-17(13-23(18)32(33,34)35)31(42)38-28-27-22-14-20(5-7-24(22)44-29(27)28)43-25-9-11-36-30-21(25)6-8-26(41)37-30/h3-5,7,9,11,13-14,19,27-29H,6,8,10,12,15-16H2,1-2H3,(H,38,42)(H,36,37,41)/t19-,27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200501 (US9670231, 1.29) Show SMILES C[C@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-16-14-39(11-10-35-16)15-18-3-2-17(12-22(18)31(32,33)34)30(41)38-27-26-21-13-19(4-6-23(21)43-28(26)27)42-24-8-9-36-29-20(24)5-7-25(40)37-29/h2-4,6,8-9,12-13,16,26-28,35H,5,7,10-11,14-15H2,1H3,(H,38,41)(H,36,37,40)/t16-,26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200218 (US9670231, 1.9) Show SMILES CN(C)[C@H]1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)19-10-12-40(16-19)15-18-4-3-17(13-23(18)32(33,34)35)31(42)38-28-27-22-14-20(5-7-24(22)44-29(27)28)43-25-9-11-36-30-21(25)6-8-26(41)37-30/h3-5,7,9,11,13-14,19,27-29H,6,8,10,12,15-16H2,1-2H3,(H,38,42)(H,36,37,41)/t19-,27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200630 (US9670231, 1.58) Show SMILES CN1CCN(Cc2ccc(cc2C)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H33N5O4/c1-18-15-19(3-4-20(18)17-36-13-11-35(2)12-14-36)31(38)34-28-27-23-16-21(5-7-24(23)40-29(27)28)39-25-9-10-32-30-22(25)6-8-26(37)33-30/h3-5,7,9-10,15-16,27-29H,6,8,11-14,17H2,1-2H3,(H,34,38)(H,32,33,37)/t27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200499 (US9670231, 1.27) Show SMILES FC(F)(F)c1cc(ccc1CN1CCNCC1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C30H28F3N5O4/c31-30(32,33)21-13-16(1-2-17(21)15-38-11-9-34-10-12-38)29(40)37-26-25-20-14-18(3-5-22(20)42-27(25)26)41-23-7-8-35-28-19(23)4-6-24(39)36-28/h1-3,5,7-8,13-14,25-27,34H,4,6,9-12,15H2,(H,37,40)(H,35,36,39)/t25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM200513 (US9670231, 1.35) Show SMILES FC(F)(F)c1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C25H18F3N3O4/c26-25(27,28)13-3-1-2-12(10-13)24(33)31-21-20-16-11-14(4-6-17(16)35-22(20)21)34-18-8-9-29-23-15(18)5-7-19(32)30-23/h1-4,6,8-11,20-22H,5,7H2,(H,31,33)(H,29,30,32)/t20-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM200528 (US9670231, 1.43) Show SMILES CC(C)(C#N)c1cccc(c1)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C28H24N4O4/c1-28(2,14-29)16-5-3-4-15(12-16)27(34)32-24-23-19-13-17(6-8-20(19)36-25(23)24)35-21-10-11-30-26-18(21)7-9-22(33)31-26/h3-6,8,10-13,23-25H,7,9H2,1-2H3,(H,32,34)(H,30,31,33)/t23-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200584 (US9670231, 1.55) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4c(cc(Oc5ccnc6NC(=O)CCc56)cc4C)C23)CC1 Show InChI InChI=1S/C33H34F3N5O4/c1-3-40-10-12-41(13-11-40)17-20-5-4-19(15-24(20)33(34,35)36)32(43)39-28-27-23-16-21(14-18(2)29(23)45-30(27)28)44-25-8-9-37-31-22(25)6-7-26(42)38-31/h4-5,8-9,14-16,27-28,30H,3,6-7,10-13,17H2,1-2H3,(H,39,43)(H,37,38,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200800 (US9670231, 2.1) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)OCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H30F3N5O5/c1-2-38-9-11-39(12-10-38)15-18-4-3-17(13-22(18)31(32,33)34)29(40)36-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)16-42-30(41)37-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,36,40)(H,35,37,41)/t25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200538 (US9670231, 1.47) Show SMILES CN(C)[C@H]1CCCN(C1)c1ccc(cc1C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-39(2)18-4-3-13-40(16-18)23-8-5-17(14-22(23)32(33,34)35)31(42)38-28-27-21-15-19(6-9-24(21)44-29(27)28)43-25-11-12-36-30-20(25)7-10-26(41)37-30/h5-6,8-9,11-12,14-15,18,27-29H,3-4,7,10,13,16H2,1-2H3,(H,38,42)(H,36,37,41)/t18-,27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200600 (US9670231, 1.56) Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4C23)CC1 Show InChI InChI=1S/C31H30F3N5O4/c1-38-10-12-39(13-11-38)16-18-3-2-17(14-22(18)31(32,33)34)30(41)37-27-26-21-15-19(4-6-23(21)43-28(26)27)42-24-8-9-35-29-20(24)5-7-25(40)36-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,37,41)(H,35,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200584 (US9670231, 1.55) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)NC2C3Oc4c(cc(Oc5ccnc6NC(=O)CCc56)cc4C)C23)CC1 Show InChI InChI=1S/C33H34F3N5O4/c1-3-40-10-12-41(13-11-40)17-20-5-4-19(15-24(20)33(34,35)36)32(43)39-28-27-23-16-21(14-18(2)29(23)45-30(27)28)44-25-8-9-37-31-22(25)6-7-26(42)38-31/h4-5,8-9,14-16,27-28,30H,3,6-7,10-13,17H2,1-2H3,(H,39,43)(H,37,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200488 (US9670231, 1.20) Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-10-13-41(14-11-20)17-19-4-3-18(15-24(19)33(34,35)36)32(43)39-29-28-23-16-21(5-7-25(23)45-30(28)29)44-26-9-12-37-31-22(26)6-8-27(42)38-31/h3-5,7,9,12,15-16,20,28-30H,6,8,10-11,13-14,17H2,1-2H3,(H,39,43)(H,37,38,42)/t28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM200809 (US9670231, 2.6) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)NCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H31F3N6O4/c1-2-39-9-11-40(12-10-39)16-18-4-3-17(13-22(18)31(32,33)34)29(41)37-26-25-20-14-19(5-6-23(20)44-27(25)26)43-24-7-8-35-28-21(24)15-36-30(42)38-28/h3-8,13-14,25-27H,2,9-12,15-16H2,1H3,(H,37,41)(H2,35,36,38,42)/t25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200503 (US9670231, 1.31) Show SMILES CN(C)[C@@H]1CCCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)C1 |r| Show InChI InChI=1S/C33H34F3N5O4/c1-40(2)20-4-3-13-41(17-20)16-19-6-5-18(14-24(19)33(34,35)36)32(43)39-29-28-23-15-21(7-9-25(23)45-30(28)29)44-26-11-12-37-31-22(26)8-10-27(42)38-31/h5-7,9,11-12,14-15,20,28-30H,3-4,8,10,13,16-17H2,1-2H3,(H,39,43)(H,37,38,42)/t20-,28+,29+,30+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM199996 (US9670231, 1.4) Show SMILES CCN1CCN(Cc2ccc(cc2F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C31H32FN5O4/c1-2-36-11-13-37(14-12-36)17-19-4-3-18(15-23(19)32)31(39)35-28-27-22-16-20(5-7-24(22)41-29(27)28)40-25-9-10-33-30-21(25)6-8-26(38)34-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,35,39)(H,33,34,38)/t27-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM199967 (BDBM200762 | US9670231, 1.1) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C32H32F3N5O4/c1-2-39-11-13-40(14-12-39)17-19-4-3-18(15-23(19)32(33,34)35)31(42)38-28-27-22-16-20(5-7-24(22)44-29(27)28)43-25-9-10-36-30-21(25)6-8-26(41)37-30/h3-5,7,9-10,15-16,27-29H,2,6,8,11-14,17H2,1H3,(H,38,42)(H,36,37,41)/t27-,28-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200502 (US9670231, 1.30) Show SMILES C[C@@H]1CN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CCN1 |r| Show InChI InChI=1S/C31H30F3N5O4/c1-16-14-39(11-10-35-16)15-18-3-2-17(12-22(18)31(32,33)34)30(41)38-27-26-21-13-19(4-6-23(21)43-28(26)27)42-24-8-9-36-29-20(24)5-7-25(40)37-29/h2-4,6,8-9,12-13,16,26-28,35H,5,7,10-11,14-15H2,1H3,(H,38,41)(H,36,37,40)/t16-,26+,27+,28+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [L858R] (Homo sapiens (Human))	BDBM200807 (US9670231, 2.5) Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(N)c5)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C29H30F3N5O3/c1-2-36-9-11-37(12-10-36)16-18-4-3-17(13-22(18)29(30,31)32)28(38)35-26-25-21-14-19(5-6-23(21)40-27(25)26)39-20-7-8-34-24(33)15-20/h3-8,13-15,25-27H,2,9-12,16H2,1H3,(H2,33,34)(H,35,38)/t25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM200490 (US9670231, 1.22) Show SMILES CN1CCN(Cc2ccc(cc2Cl)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc6NC(=O)CCc56)cc4[C@@H]23)CC1 |r| Show InChI InChI=1S/C30H30ClN5O4/c1-35-10-12-36(13-11-35)16-18-3-2-17(14-22(18)31)30(38)34-27-26-21-15-19(4-6-23(21)40-28(26)27)39-24-8-9-32-29-20(24)5-7-25(37)33-29/h2-4,6,8-9,14-15,26-28H,5,7,10-13,16H2,1H3,(H,34,38)(H,32,33,37)/t26-,27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
BeiGene, Ltd. US Patent					Assay Description TBD				US Patent US9670231 (2017) BindingDB Entry DOI: 10.7270/Q2F18WWF
					More data for this Ligand-Target Pair

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