BDBM25190 2-chloro-4-fluoro-5-({7-[3-({[2-(morpholin-4-yl)ethyl]amino}methyl)phenyl]quinolin-4-yl}amino)phenol::7-substituted 4-anilinoquinoline, 30

SMILES: Oc1cc(Nc2ccnc3cc(ccc23)-c2cccc(CNCCN3CCOCC3)c2)c(F)cc1Cl

InChI Key: InChIKey=KWEPTXFPNVUYJW-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 = 25190   

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))	BDBM25190 (2-chloro-4-fluoro-5-({7-[3-({[2-(morpholin-4-yl)et...) Show SMILES Oc1cc(Nc2ccnc3cc(ccc23)-c2cccc(CNCCN3CCOCC3)c2)c(F)cc1Cl Show InChI InChI=1S/C28H28ClFN4O2/c29-23-16-24(30)27(17-28(23)35)33-25-6-7-32-26-15-21(4-5-22(25)26)20-3-1-2-19(14-20)18-31-8-9-34-10-12-36-13-11-34/h1-7,14-17,31,35H,8-13,18H2,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	7.4	22
GlaxoSmithKline					Assay Description The biochemical activity of compound was determined by incubation with Ret kinase and the substrate in the presence of ATP/ [gamma-33P] ATP. After in...				Bioorg Med Chem Lett 17: 5886-93 (2007) Article DOI: 10.1016/j.bmcl.2007.07.104 BindingDB Entry DOI: 10.7270/Q2H1309S
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