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SMILES: COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN(C)C

InChI Key: InChIKey=BMQMLUCMERSAAN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50165922   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50165922 (CHEMBL3799523) Show SMILES COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN(C)C Show InChI InChI=1S/C21H25FN4O3/c1-13-17(27)7-6-15(22)20(13)25-21-14-10-18(28-4)19(11-16(14)23-12-24-21)29-9-5-8-26(2)3/h6-7,10-12,27H,5,8-9H2,1-4H3,(H,23,24,25)	PDB MMDB 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant KDR (unknown origin) expressed in IL3 deficient BAF3 cells assessed as reduction in cell viability after 48 hrs by CellTite...				Bioorg Med Chem Lett 26: 2724-9 (2016) Article DOI: 10.1016/j.bmcl.2016.03.100 BindingDB Entry DOI: 10.7270/Q2WM1G93
					More data for this Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50165922 (CHEMBL3799523) Show SMILES COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN(C)C Show InChI InChI=1S/C21H25FN4O3/c1-13-17(27)7-6-15(22)20(13)25-21-14-10-18(28-4)19(11-16(14)23-12-24-21)29-9-5-8-26(2)3/h6-7,10-12,27H,5,8-9H2,1-4H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant KIF5B/RET (unknown origin) expressed in IL3 deficient BAF3 cells assessed as reduction in cell viability after 48 hrs by Ce...				Bioorg Med Chem Lett 26: 2724-9 (2016) Article DOI: 10.1016/j.bmcl.2016.03.100 BindingDB Entry DOI: 10.7270/Q2WM1G93
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50165922 (CHEMBL3799523) Show SMILES COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN(C)C Show InChI InChI=1S/C21H25FN4O3/c1-13-17(27)7-6-15(22)20(13)25-21-14-10-18(28-4)19(11-16(14)23-12-24-21)29-9-5-8-26(2)3/h6-7,10-12,27H,5,8-9H2,1-4H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of N-terminal GST fused human RET (658 to 1114 amino acid residue) using CSKtide as substrate expressed in baculovirus preincubated for 15...				Bioorg Med Chem Lett 26: 2724-9 (2016) Article DOI: 10.1016/j.bmcl.2016.03.100 BindingDB Entry DOI: 10.7270/Q2WM1G93
					More data for this Ligand-Target Pair