BDBM50100327 CHEMBL3321813

SMILES: NC(=O)c1c(N)n(-c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2F)c2nc3ccccc3nc12

InChI Key: InChIKey=HTDKSCVGBSIHQY-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 = 50100327   

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
Ephrin type-B receptor 4 (Homo sapiens (Human))	BDBM50100327 (CHEMBL3321813) Show SMILES NC(=O)c1c(N)n(-c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2F)c2nc3ccccc3nc12 |(24.7,-37.03,;23.21,-37.43,;22.18,-36.28,;22.74,-38.89,;23.64,-40.14,;25.18,-40.14,;22.74,-41.38,;23.21,-42.85,;24.72,-43.17,;25.2,-44.63,;26.7,-44.95,;27.18,-46.42,;26.15,-47.56,;28.69,-46.74,;29.71,-45.6,;31.21,-45.91,;31.69,-47.38,;30.66,-48.53,;29.16,-48.21,;31.14,-49.99,;30.1,-51.13,;32.64,-50.31,;31.9,-51.32,;24.17,-45.78,;22.66,-45.46,;22.18,-43.99,;20.68,-43.67,;21.27,-40.91,;19.94,-41.68,;18.61,-40.91,;17.27,-41.68,;15.94,-40.91,;15.94,-39.37,;17.27,-38.6,;18.61,-39.37,;19.94,-38.6,;21.27,-39.37,)| Show InChI InChI=1S/C25H16F4N6O2/c26-15-9-8-14(32-24(37)12-4-3-5-13(10-12)25(27,28)29)11-18(15)35-21(30)19(22(31)36)20-23(35)34-17-7-2-1-6-16(17)33-20/h1-11H,30H2,(H2,31,36)(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Inhibition of phosphorylation of full-length myc-tagged human EphB4 overexpressed in mouse embryonic fibroblasts after 90 mins by sandwich ELISA				J Med Chem 57: 6834-44 (2014) Article DOI: 10.1021/jm5009242 BindingDB Entry DOI: 10.7270/Q2TQ638D
					More data for this Ligand-Target Pair