BDBM50349142 CHEMBL1807715

SMILES: CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1

InChI Key: InChIKey=WPGPGSHSKIXAPO-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50349142   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50349142 (CHEMBL1807715) Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C25H27N9/c1-26-12-16-9-17(14-27-13-16)18-10-20-23(31-32-24(20)28-15-18)25-29-21-4-3-19(11-22(21)30-25)34-7-5-33(2)6-8-34/h3-4,9-11,13-15,26H,5-8,12H2,1-2H3,(H,29,30)(H,28,31,32)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
National Tsing Hua University Curated by ChEMBL					Assay Description Inhibition of RET kinase				Bioorg Med Chem Lett 21: 4490-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.003 BindingDB Entry DOI: 10.7270/Q2BV7H06
					More data for this Ligand-Target Pair