BDBM50122688 CHEMBL3623129

SMILES: Nc1ncc(C(=O)NCC#N)c2ccc(cc12)-c1cccc(F)c1

InChI Key: InChIKey=RXZNEJAMJMSWQU-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 = 50122688   

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))	BDBM50122688 (CHEMBL3623129) Show SMILES Nc1ncc(C(=O)NCC#N)c2ccc(cc12)-c1cccc(F)c1 Show InChI InChI=1S/C18H13FN4O/c19-13-3-1-2-11(8-13)12-4-5-14-15(9-12)17(21)23-10-16(14)18(24)22-7-6-20/h1-5,8-10H,7H2,(H2,21,23)(H,22,24)	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	46	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