Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50000509   

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 (Homo sapiens (Human))	BDBM50252033 (CHEMBL4078023) Show SMILES [#6]-[#7]1-[#6]\[#6](=[#6]/c2nc(-[#6])c(-[#6])nc2-[#6])\[#6](=[#7]/[#8])\[#6](\[#6]-1)=[#6]\c1nc(-[#6])c(-[#6])nc1-[#6] Show InChI InChI=1S/C22H28N6O/c1-12-14(3)25-20(16(5)23-12)8-18-10-28(7)11-19(22(18)27-29)9-21-17(6)24-13(2)15(4)26-21/h8-9,29H,10-11H2,1-7H3/b18-8+,19-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50252035 (CHEMBL4064361) Show SMILES COc1cc(Br)c(\C=C2/CN(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N\O)cc1OC Show InChI InChI=1S/C23H27BrN4O3/c1-13-14(2)26-20(15(3)25-13)8-18-12-28(4)11-17(23(18)27-29)7-16-9-21(30-5)22(31-6)10-19(16)24/h7-10,29H,11-12H2,1-6H3/b17-7+,18-8+,27-23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50252089 (CHEMBL4083642) Show SMILES CN1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C Show InChI InChI=1S/C22H27N5O/c1-12-14(3)25-20(16(5)23-12)8-18-10-27(7)11-19(22(18)28)9-21-17(6)24-13(2)15(4)26-21/h8-9H,10-11H2,1-7H3/b18-8+,19-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					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	60	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50252090 (CHEMBL4063890) Show SMILES COc1cc(Br)c(\C=C2/CN(C)C\C(=C/c3nc(C)c(C)nc3C)C2=O)cc1OC Show InChI InChI=1S/C23H26BrN3O3/c1-13-14(2)26-20(15(3)25-13)8-18-12-27(4)11-17(23(18)28)7-16-9-21(29-5)22(30-6)10-19(16)24/h7-10H,11-12H2,1-6H3/b17-7+,18-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50252091 (CHEMBL4102284) Show SMILES [#6]-[#6](-[#6])-[#7]1-[#6]\[#6](=[#6]/c2nc(-[#6])c(-[#6])nc2-[#6])\[#6](=[#7]/[#8])\[#6](\[#6]-1)=[#6]\c1nc(-[#6])c(-[#6])nc1-[#6] Show InChI InChI=1S/C24H32N6O/c1-13(2)30-11-20(9-22-18(7)25-14(3)16(5)27-22)24(29-31)21(12-30)10-23-19(8)26-15(4)17(6)28-23/h9-10,13,31H,11-12H2,1-8H3/b20-9+,21-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50251945 (CHEMBL4100075) Show SMILES CC1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C Show InChI InChI=1S/C23H28N4O/c1-12-8-19(10-21-17(6)24-13(2)15(4)26-21)23(28)20(9-12)11-22-18(7)25-14(3)16(5)27-22/h10-12H,8-9H2,1-7H3/b19-10+,20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50251946 (CHEMBL4104427) Show SMILES CC(C)N1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C Show InChI InChI=1S/C24H31N5O/c1-13(2)29-11-20(9-22-18(7)25-14(3)16(5)27-22)24(30)21(12-29)10-23-19(8)26-15(4)17(6)28-23/h9-10,13H,11-12H2,1-8H3/b20-9+,21-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50252043 (CHEMBL4093642) Show SMILES COc1cc(Br)c(\C=C2/CN(C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)C(C)C)cc1OC Show InChI InChI=1S/C25H31BrN4O3/c1-14(2)30-12-19(8-18-10-23(32-6)24(33-7)11-21(18)26)25(29-31)20(13-30)9-22-17(5)27-15(3)16(4)28-22/h8-11,14,31H,12-13H2,1-7H3/b19-8+,20-9+,29-25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50252035 (CHEMBL4064361) Show SMILES COc1cc(Br)c(\C=C2/CN(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N\O)cc1OC Show InChI InChI=1S/C23H27BrN4O3/c1-13-14(2)26-20(15(3)25-13)8-18-12-28(4)11-17(23(18)27-29)7-16-9-21(30-5)22(31-6)10-19(16)24/h7-10,29H,11-12H2,1-6H3/b17-7+,18-8+,27-23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50251947 (CHEMBL4081727) Show SMILES COc1cc(Br)c(\C=C2/CC(C)C\C(=C/c3nc(C)c(C)nc3C)C2=O)cc1OC Show InChI InChI=1S/C24H27BrN2O3/c1-13-7-18(9-17-11-22(29-5)23(30-6)12-20(17)25)24(28)19(8-13)10-21-16(4)26-14(2)15(3)27-21/h9-13H,7-8H2,1-6H3/b18-9+,19-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50251948 (CHEMBL4075241) Show SMILES COc1cc(Cl)c(\C=C2/CN(C\C(=C/c3nc(C)c(C)nc3C)C2=O)C(C)C)cc1OC Show InChI InChI=1S/C25H30ClN3O3/c1-14(2)29-12-19(8-18-10-23(31-6)24(32-7)11-21(18)26)25(30)20(13-29)9-22-17(5)27-15(3)16(4)28-22/h8-11,14H,12-13H2,1-7H3/b19-8+,20-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50251949 (CHEMBL4094546) Show SMILES [#6]-[#6]1-[#6]\[#6](=[#6]/c2nc(-[#6])c(-[#6])nc2-[#6])\[#6](=[#7]/[#8])\[#6](\[#6]-1)=[#6]\c1nc(-[#6])c(-[#6])nc1-[#6] Show InChI InChI=1S/C23H29N5O/c1-12-8-19(10-21-17(6)24-13(2)15(4)26-21)23(28-29)20(9-12)11-22-18(7)25-14(3)16(5)27-22/h10-12,29H,8-9H2,1-7H3/b19-10+,20-11+,28-23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50252090 (CHEMBL4063890) Show SMILES COc1cc(Br)c(\C=C2/CN(C)C\C(=C/c3nc(C)c(C)nc3C)C2=O)cc1OC Show InChI InChI=1S/C23H26BrN3O3/c1-13-14(2)26-20(15(3)25-13)8-18-12-27(4)11-17(23(18)28)7-16-9-21(29-5)22(30-6)10-19(16)24/h7-10H,11-12H2,1-6H3/b17-7+,18-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50251946 (CHEMBL4104427) Show SMILES CC(C)N1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C Show InChI InChI=1S/C24H31N5O/c1-13(2)29-11-20(9-22-18(7)25-14(3)16(5)27-22)24(30)21(12-29)10-23-19(8)26-15(4)17(6)28-23/h9-10,13H,11-12H2,1-8H3/b20-9+,21-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50252033 (CHEMBL4078023) Show SMILES [#6]-[#7]1-[#6]\[#6](=[#6]/c2nc(-[#6])c(-[#6])nc2-[#6])\[#6](=[#7]/[#8])\[#6](\[#6]-1)=[#6]\c1nc(-[#6])c(-[#6])nc1-[#6] Show InChI InChI=1S/C22H28N6O/c1-12-14(3)25-20(16(5)23-12)8-18-10-28(7)11-19(22(18)27-29)9-21-17(6)24-13(2)15(4)26-21/h8-9,29H,10-11H2,1-7H3/b18-8+,19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50252034 (CHEMBL4085902) Show SMILES COc1cc(Br)c(\C=C2/CC(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)cc1OC Show InChI InChI=1S/C24H28BrN3O3/c1-13-7-18(9-17-11-22(30-5)23(31-6)12-20(17)25)24(28-29)19(8-13)10-21-16(4)26-14(2)15(3)27-21/h9-13,29H,7-8H2,1-6H3/b18-9+,19-10+,28-24+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50251948 (CHEMBL4075241) Show SMILES COc1cc(Cl)c(\C=C2/CN(C\C(=C/c3nc(C)c(C)nc3C)C2=O)C(C)C)cc1OC Show InChI InChI=1S/C25H30ClN3O3/c1-14(2)29-12-19(8-18-10-23(31-6)24(32-7)11-21(18)26)25(30)20(13-29)9-22-17(5)27-15(3)16(4)28-22/h8-11,14H,12-13H2,1-7H3/b19-8+,20-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50252089 (CHEMBL4083642) Show SMILES CN1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C Show InChI InChI=1S/C22H27N5O/c1-12-14(3)25-20(16(5)23-12)8-18-10-27(7)11-19(22(18)28)9-21-17(6)24-13(2)15(4)26-21/h8-9H,10-11H2,1-7H3/b18-8+,19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50252091 (CHEMBL4102284) Show SMILES [#6]-[#6](-[#6])-[#7]1-[#6]\[#6](=[#6]/c2nc(-[#6])c(-[#6])nc2-[#6])\[#6](=[#7]/[#8])\[#6](\[#6]-1)=[#6]\c1nc(-[#6])c(-[#6])nc1-[#6] Show InChI InChI=1S/C24H32N6O/c1-13(2)30-11-20(9-22-18(7)25-14(3)16(5)27-22)24(29-31)21(12-30)10-23-19(8)26-15(4)17(6)28-23/h9-10,13,31H,11-12H2,1-8H3/b20-9+,21-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50252043 (CHEMBL4093642) Show SMILES COc1cc(Br)c(\C=C2/CN(C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)C(C)C)cc1OC Show InChI InChI=1S/C25H31BrN4O3/c1-14(2)30-12-19(8-18-10-23(32-6)24(33-7)11-21(18)26)25(29-31)20(13-30)9-22-17(5)27-15(3)16(4)28-22/h8-11,14,31H,12-13H2,1-7H3/b19-8+,20-9+,29-25+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant EGFR cytoplasmic domain (unknown origin) (645 to 1186 residues) expressed in baculovirus infected Sf-9 cells pr...				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50251949 (CHEMBL4094546) Show SMILES [#6]-[#6]1-[#6]\[#6](=[#6]/c2nc(-[#6])c(-[#6])nc2-[#6])\[#6](=[#7]/[#8])\[#6](\[#6]-1)=[#6]\c1nc(-[#6])c(-[#6])nc1-[#6] Show InChI InChI=1S/C23H29N5O/c1-12-8-19(10-21-17(6)24-13(2)15(4)26-21)23(28-29)20(9-12)11-22-18(7)25-14(3)16(5)27-22/h10-12,29H,8-9H2,1-7H3/b19-10+,20-11+,28-23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50251945 (CHEMBL4100075) Show SMILES CC1C\C(=C/c2nc(C)c(C)nc2C)C(=O)\C(C1)=C\c1nc(C)c(C)nc1C Show InChI InChI=1S/C23H28N4O/c1-12-8-19(10-21-17(6)24-13(2)15(4)26-21)23(28)20(9-12)11-22-18(7)25-14(3)16(5)27-22/h10-12H,8-9H2,1-7H3/b19-10+,20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (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 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	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50252034 (CHEMBL4085902) Show SMILES COc1cc(Br)c(\C=C2/CC(C)C/C(=C\c3nc(C)c(C)nc3C)/C/2=N/O)cc1OC Show InChI InChI=1S/C24H28BrN3O3/c1-13-7-18(9-17-11-22(30-5)23(31-6)12-20(17)25)24(28-29)19(8-13)10-21-16(4)26-14(2)15(3)27-21/h9-13,29H,7-8H2,1-6H3/b18-9+,19-10+,28-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50251947 (CHEMBL4081727) Show SMILES COc1cc(Br)c(\C=C2/CC(C)C\C(=C/c3nc(C)c(C)nc3C)C2=O)cc1OC Show InChI InChI=1S/C24H27BrN2O3/c1-13-7-18(9-17-11-22(29-5)23(30-6)12-20(17)25)24(28)19(8-13)10-21-16(4)26-14(2)15(3)27-21/h9-13H,7-8H2,1-6H3/b18-9+,19-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University of Technology Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis				Eur J Med Chem 135: 34-48 (2017) Article DOI: 10.1016/j.ejmech.2017.04.025 BindingDB Entry DOI: 10.7270/Q2H41TV5
					More data for this Ligand-Target Pair