Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50046571   

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
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50119566 (CHEMBL3617732) Show SMILES CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 Show InChI InChI=1S/C20H23N7O/c1-2-4-19(28)22-14-5-3-6-15(11-14)23-20-21-10-9-17(25-20)24-18-12-16(26-27-18)13-7-8-13/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,28)(H3,21,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Yes (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50119568 (CHEMBL3617738) Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r| Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Yes (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50119567 (CHEMBL3617740) Show SMILES C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r| Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Yes (unknown origin)				ACS Med Chem Lett 6: 898-901 (2015) Article DOI: 10.1021/acsmedchemlett.5b00167 BindingDB Entry DOI: 10.7270/Q2833TTZ
					More data for this Ligand-Target Pair