BDBM29920 substituted 6-aminoquinoline-3-carbonitrile, 31

SMILES: CCN1CCC(CCn2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1

InChI Key: InChIKey=CWDAVPSQFFXORE-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 = 29920   

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
Mitogen-activated protein kinase kinase kinase 8 (Homo sapiens (Human))	BDBM29920 (substituted 6-aminoquinoline-3-carbonitrile, 31) Show SMILES CCN1CCC(CCn2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1 Show InChI InChI=1S/C28H29Cl2FN8/c1-2-38-8-5-18(6-9-38)7-10-39-17-22(36-37-39)16-33-21-11-23-27(35-20-3-4-26(31)24(29)12-20)19(14-32)15-34-28(23)25(30)13-21/h3-4,11-13,15,17-18,33H,2,5-10,16H2,1H3,(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ...				Bioorg Med Chem Lett 19: 3485-8 (2009) Article DOI: 10.1016/j.bmcl.2009.05.009 BindingDB Entry DOI: 10.7270/Q2HT2MN8
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