BDBM50122725 CHEMBL3623131

SMILES: Nc1ncc(C(=O)NC2CC(O)C2)c2ccc(cc12)-c1cccc(F)c1

InChI Key: InChIKey=UAFIOOSLWDLMRI-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50122725   

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 kinase 4 (Homo sapiens (Human))	BDBM50122725 (CHEMBL3623131) Show SMILES Nc1ncc(C(=O)NC2CC(O)C2)c2ccc(cc12)-c1cccc(F)c1 |(-1.33,2.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-3.08,;-.26,-3.69,;-2.66,-3.85,;-2.65,-5.4,;-3.73,-6.44,;-2.64,-7.52,;-2.63,-8.75,;-1.55,-6.43,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;4,1.54,;5.33,.77,;6.66,1.53,;6.67,3.07,;5.33,3.85,;5.34,5.08,;4,3.08,)| Show InChI InChI=1S/C20H18FN3O2/c21-13-3-1-2-11(6-13)12-4-5-16-17(7-12)19(22)23-10-18(16)20(26)24-14-8-15(25)9-14/h1-7,10,14-15,25H,8-9H2,(H2,22,23)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay				ACS Med Chem Lett 6: 913-8 (2015) BindingDB Entry DOI: 10.7270/Q2M32XJB
					More data for this Ligand-Target Pair