Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'mowafy' and Initial = 's'   

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
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209651 (CHEMBL3883384) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Time-dependent inhibition of TAB1 fused TAK1 (unknown origin) using FAM-LRRKtide as substrate by mobility shift assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179500 (CHEMBL3813876) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6OS/c23-18-13-16(2-4-19(18)24)28-21-17-12-15(3-5-20(17)26-14-27-21)29-22(32)25-6-1-7-30-8-10-31-11-9-30/h2-5,12-14H,1,6-11H2,(H2,25,29,32)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.495	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.509	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50209748 (CHEMBL3884960) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179513 (CHEMBL3814257) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C16H12ClFN4O/c1-9(23)21-10-3-5-15-12(6-10)16(20-8-19-15)22-11-2-4-14(18)13(17)7-11/h2-8H,1H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.662	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179515 (CHEMBL3814882) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)c1 Show InChI InChI=1S/C22H25BrN6O/c23-16-5-4-6-17(13-16)27-21-19-14-18(7-8-20(19)25-15-26-21)28-22(30)24-9-12-29-10-2-1-3-11-29/h4-8,13-15H,1-3,9-12H2,(H2,24,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.772	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179508 (CHEMBL3814959) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1 Show InChI InChI=1S/C15H12BrN5O/c16-9-1-3-10(4-2-9)20-14-12-7-11(21-15(17)22)5-6-13(12)18-8-19-14/h1-8H,(H3,17,21,22)(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.803	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179512 (CHEMBL3814211) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C15H11ClFN5O/c16-11-6-9(1-3-12(11)17)21-14-10-5-8(22-15(18)23)2-4-13(10)19-7-20-14/h1-7H,(H3,18,22,23)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.854	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179509 (CHEMBL2031296) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C16H13BrN4O/c1-10(22)20-13-5-6-15-14(8-13)16(19-9-18-15)21-12-4-2-3-11(17)7-12/h2-9H,1H3,(H,20,22)(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179517 (CHEMBL3814956) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6O/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179514 (CHEMBL3814320) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)c1 Show InChI InChI=1S/C21H23BrN6O2/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(29)23-6-7-28-8-10-30-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,29)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179503 (CHEMBL3814812) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209760 (CHEMBL3885421) Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209760 (CHEMBL3885421) Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179494 (CHEMBL3815163) Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)c1 Show InChI InChI=1S/C21H23BrN6OS/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(30)23-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,30)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50132490 (CHEMBL3633928) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H17ClFN5O2/c23-18-10-16(5-7-20(18)31-11-13-2-1-3-14(24)8-13)28-21-17-9-15(29-22(25)30)4-6-19(17)26-12-27-21/h1-10,12H,11H2,(H3,25,29,30)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179511 (CHEMBL3815074) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1 Show InChI InChI=1S/C18H14N4O/c1-3-13-5-4-6-14(9-13)22-18-16-10-15(21-12(2)23)7-8-17(16)19-11-20-18/h1,4-11H,2H3,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179510 (CHEMBL3814447) Show SMILES NC(=O)Nc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1 Show InChI InChI=1S/C17H13N5O/c1-2-11-4-3-5-12(8-11)21-16-14-9-13(22-17(18)23)6-7-15(14)19-10-20-16/h1,3-10H,(H3,18,22,23)(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179519 (CHEMBL3814445) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C21H22ClFN6OS/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179496 (CHEMBL3813728) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C28H28ClFN6O2S/c29-24-16-22(5-7-26(24)38-17-19-2-1-3-20(30)14-19)34-27-23-15-21(4-6-25(23)32-18-33-27)35-28(39)31-8-9-36-10-12-37-13-11-36/h1-7,14-16,18H,8-13,17H2,(H2,31,35,39)(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179516 (CHEMBL3815161) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C21H22ClFN6O2/c22-17-12-15(1-3-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(30)24-5-6-29-7-9-31-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209653 (CHEMBL3884616) Show SMILES Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-9-4-3-8-19(20)27-22-18(24)15-25-23(28-22)26-16-6-5-7-17(14-16)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209653 (CHEMBL3884616) Show SMILES Clc1cnc(Nc2cccc(c2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-9-4-3-8-19(20)27-22-18(24)15-25-23(28-22)26-16-6-5-7-17(14-16)29-10-12-31-13-11-29/h2-9,14-15H,1,10-13H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209662 (CHEMBL3884569) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209662 (CHEMBL3884569) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)33-21-7-5-4-6-20(21)28-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179493 (CHEMBL3814694) Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCCCC4)cc23)cc1Cl Show InChI InChI=1S/C22H24ClFN6S/c23-18-13-16(4-6-19(18)24)28-21-17-12-15(5-7-20(17)26-14-27-21)29-22(31)25-8-11-30-9-2-1-3-10-30/h4-7,12-14H,1-3,8-11H2,(H2,25,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179505 (CHEMBL3814846) Show SMILES CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 Show InChI InChI=1S/C23H18ClFN4O2/c1-14(30)28-17-5-7-21-19(10-17)23(27-13-26-21)29-18-6-8-22(20(24)11-18)31-12-15-3-2-4-16(25)9-15/h2-11,13H,12H2,1H3,(H,28,30)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209657 (CHEMBL3884229) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209657 (CHEMBL3884229) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209660 (CHEMBL3884281) Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209660 (CHEMBL3884281) Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179499 (CHEMBL3814816) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1 Show InChI InChI=1S/C21H23ClN6OS/c22-15-1-3-16(4-2-15)26-20-18-13-17(5-6-19(18)24-14-25-20)27-21(30)23-7-8-28-9-11-29-12-10-28/h1-6,13-14H,7-12H2,(H2,23,27,30)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209748 (CHEMBL3884960) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209748 (CHEMBL3884960) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1 Show InChI InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50042034 ((5Z)-7-Oxozeaenol | 5Z-7-Oxozeaenol | CHEBI:67559 ...) Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)\C=C/C[C@H](C)OC2=O |r,c:19,t:10| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3-/t11-,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209753 (CHEMBL3884642) Show SMILES FC(F)n1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H13ClF2N6O2/c1-2-14(27)24-12-5-3-4-6-13(12)28-15-11(18)8-21-17(25-15)23-10-7-22-26(9-10)16(19)20/h2-9,16H,1H2,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209753 (CHEMBL3884642) Show SMILES FC(F)n1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H13ClF2N6O2/c1-2-14(27)24-12-5-3-4-6-13(12)28-15-11(18)8-21-17(25-15)23-10-7-22-26(9-10)16(19)20/h2-9,16H,1H2,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209758 (CHEMBL3884143) Show SMILES Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Inc Curated by ChEMBL					Assay Description Inhibition of TAK1 (unknown origin) by LanthaScreen assay				Bioorg Med Chem 25: 1320-1328 (2017) Article DOI: 10.1016/j.bmc.2016.11.034 BindingDB Entry DOI: 10.7270/Q2JH3PNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209758 (CHEMBL3884143) Show SMILES Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 7 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Time-dependent inhibition of TAB1 fused TAK1 (unknown origin) using FAM-LRRKtide as substrate by mobility shift assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209660 (CHEMBL3884281) Show SMILES Clc1cnc(Nc2cnn(c2)C2CCOCC2)nc1Oc1ccccc1NC(=O)C=C Show InChI InChI=1S/C21H21ClN6O3/c1-2-19(29)26-17-5-3-4-6-18(17)31-20-16(22)12-23-21(27-20)25-14-11-24-28(13-14)15-7-9-30-10-8-15/h2-6,11-13,15H,1,7-10H2,(H,26,29)(H,23,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209759 (CHEMBL3884839) Show SMILES COCCn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 Show InChI InChI=1S/C19H19ClN6O3/c1-3-17(27)24-15-6-4-5-7-16(15)29-18-14(20)11-21-19(25-18)23-13-10-22-26(12-13)8-9-28-2/h3-7,10-12H,1,8-9H2,2H3,(H,24,27)(H,21,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209657 (CHEMBL3884229) Show SMILES Clc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1Nc1ccccc1OC(=O)C=C Show InChI InChI=1S/C23H22ClN5O3/c1-2-21(30)32-20-6-4-3-5-19(20)27-22-18(24)15-25-23(28-22)26-16-7-9-17(10-8-16)29-11-13-31-14-12-29/h2-10,15H,1,11-14H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50179497 (CHEMBL3814182) Show SMILES Clc1ccc(Nc2ncnc3ccc(NC(=S)NCCN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C21H22Cl2N6OS/c22-17-3-1-15(12-18(17)23)27-20-16-11-14(2-4-19(16)25-13-26-20)28-21(31)24-5-6-29-7-9-30-10-8-29/h1-4,11-13H,5-10H2,(H2,24,28,31)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50209760 (CHEMBL3885421) Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)c1 Show InChI InChI=1S/C25H25ClN6O3/c1-3-23(34)35-22-10-5-4-9-21(22)29-24-20(26)16-27-25(30-24)28-18-7-6-8-19(15-18)32-13-11-31(12-14-32)17(2)33/h3-10,15-16H,1,11-14H2,2H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay				Bioorg Med Chem 25: 838-846 (2017) Article DOI: 10.1016/j.bmc.2016.11.035 BindingDB Entry DOI: 10.7270/Q2Z89FD7
					More data for this Ligand-Target Pair

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