Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'van otterlo' and Initial = 'wa'   

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
Estrogen receptor (Homo sapiens (Human))	BDBM50323701 (2-(Trifluoroacetyl)-1,2,3,4-tetrahydro-6-isoquinol...) Show SMILES Oc1ccc2CN(CCc2c1)C(=O)C(F)(F)F Show InChI InChI=1S/C11H10F3NO2/c12-11(13,14)10(17)15-4-3-7-5-9(16)2-1-8(7)6-15/h1-2,5,16H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Molekulare Physiologie Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human ERalpha ligand binding domain expressed in Escherichia coli BL21 (DE3)				Nat Chem Biol 5: 585-92 (2009) Article DOI: 10.1038/nchembio.188 BindingDB Entry DOI: 10.7270/Q2MP53F2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547250 (CHEMBL4756368) Show SMILES OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547247 (CHEMBL4787483) Show SMILES Clc1cc(Nc2ncnc3[nH]cc(-c4cccc(NC(=O)C=C)c4)c23)ccc1OCc1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547249 (CHEMBL4757145) Show SMILES CN(C)CCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547247 (CHEMBL4787483) Show SMILES Clc1cc(Nc2ncnc3[nH]cc(-c4cccc(NC(=O)C=C)c4)c23)ccc1OCc1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547250 (CHEMBL4756368) Show SMILES OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547249 (CHEMBL4757145) Show SMILES CN(C)CCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM31826 (4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...) Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547248 (CHEMBL4795165) Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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 PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547248 (CHEMBL4795165) Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK as substrate preinc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50314991 (CHEMBL1089524 | N-(4-(3-Bromophenylamino)quinolin-...) Show SMILES CN(C)CCCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C21H23BrN4O/c1-26(2)12-4-7-21(27)25-17-8-9-19-18(14-17)20(10-11-23-19)24-16-6-3-5-15(22)13-16/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of wild type EGFR by HTRF assay				J Med Chem 53: 2892-901 (2010) Article DOI: 10.1021/jm901877j BindingDB Entry DOI: 10.7270/Q2T43T7N
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547276 (CHEMBL4786257) Show SMILES OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547249 (CHEMBL4757145) Show SMILES CN(C)CCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547270 (CHEMBL4755170) Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc4[nH]c(Cc5ccccc5)nc4c3)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547247 (CHEMBL4787483) Show SMILES Clc1cc(Nc2ncnc3[nH]cc(-c4cccc(NC(=O)C=C)c4)c23)ccc1OCc1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547266 (CHEMBL4757592) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(O)cc3)c2c1-c1cccc(NC(=O)C=C)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547263 (CHEMBL4743509) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OC(c4ccccc4)c4ccccc4)cc3)c2c1-c1cccc(NC(=O)C=C)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547273 (CHEMBL4781593) Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(OCN4C(=O)c5ccccc5C4=O)cc3)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50547250 (CHEMBL4756368) Show SMILES OCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R/T790M mutant (669 to 1210 residues) expressed in baculovirus infected Sf9 insect cells using TK ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508778 (CHEMBL4450262) Show SMILES CC1(C)OC(=O)Nc2cccc(Oc3cc(Cl)cc(c3)C#N)c12 Show InChI InChI=1S/C17H13ClN2O3/c1-17(2)15-13(20-16(21)23-17)4-3-5-14(15)22-12-7-10(9-19)6-11(18)8-12/h3-8H,1-2H3,(H,20,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549 BindingDB Entry DOI: 10.7270/Q2CJ8HS3
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508779 (CHEMBL4450185) Show SMILES CCn1c2c(Oc3cc(Cl)cc(c3)C#N)cccc2[nH]c1=O Show InChI InChI=1S/C16H12ClN3O2/c1-2-20-15-13(19-16(20)21)4-3-5-14(15)22-12-7-10(9-18)6-11(17)8-12/h3-8H,2H2,1H3,(H,19,21)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549 BindingDB Entry DOI: 10.7270/Q2CJ8HS3
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50322823 ((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...) Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| Show InChI InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1	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	7.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547268 (CHEMBL4758224) Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM13533 (1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)	PDB MMDB NCI pathway Reactome pathway 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	8	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 using GST-tagged ATF2 as substrate after 90 mins by HTRF as...				Eur J Med Chem 48: 1-15 (2012) Article DOI: 10.1016/j.ejmech.2011.11.019 BindingDB Entry DOI: 10.7270/Q2W096CH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50358430 (CHEMBL1614725) Show SMILES CC(C)(O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547277 (CHEMBL4760739) Show SMILES OCCCOc1ccc(cc1NC(=O)C=C)-c1c[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547248 (CHEMBL4795165) Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547247 (CHEMBL4787483) Show SMILES Clc1cc(Nc2ncnc3[nH]cc(-c4cccc(NC(=O)C=C)c4)c23)ccc1OCc1ccccn1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50468247 (HM 781-36B | HM-781-36B | NOV-120101 | Poziotinib ...) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(CC1)C(=O)C=C Show InChI InChI=1S/C23H21Cl2FN4O3/c1-3-20(31)30-8-6-13(7-9-30)33-19-10-14-17(11-18(19)32-2)27-12-28-23(14)29-16-5-4-15(24)21(25)22(16)26/h3-5,10-13H,1,6-9H2,2H3,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547269 (CHEMBL4778909) Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
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Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547262 (CHEMBL4800516) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OCN4C(=O)c5ccccc5C4=O)cc3)c2c1-c1cccc(NC(=O)C=C)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547272 (CHEMBL4759178) Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50547265 (CHEMBL4750655) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1[nH]c2ncnc(Nc3ccc(OC(=O)C(N4Cc5ccccc5C4=O)c4ccccc4)cc3)c2c1-c1cccc(NC(=O)C=C)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of C-terminal His6-tagged HER2 (703 to 1029 residues) (unknown origin) expressed in Sf9 insect cells using TK as substrate preincubated fo...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50508777 (CHEMBL4438953) Show SMILES CCn1c2c(Oc3cc(\C=C\C#N)cc(c3)C#N)cccc2[nH]c1=O Show InChI InChI=1S/C19H14N4O2/c1-2-23-18-16(22-19(23)24)6-3-7-17(18)25-15-10-13(5-4-8-20)9-14(11-15)12-21/h3-7,9-11H,2H2,1H3,(H,22,24)/b5-4+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Stellenbosch University Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase Y188C mutant in HIV1 infected HEK293T cells harboring luciferase gene assessed as reduction in viral infecti...				ACS Med Chem Lett 10: 196-202 (2019) Article DOI: 10.1021/acsmedchemlett.8b00549 BindingDB Entry DOI: 10.7270/Q2CJ8HS3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibiton of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as reduction in EGFR induced cell viability after 9...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00870 BindingDB Entry DOI: 10.7270/Q2VQ368T
					More data for this Ligand-Target Pair

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