BDBM50289144 CHEMBL4164968

SMILES: COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=KNRNYBHXYQQTST-OAQMXIGCSA-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 = 50289144   

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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50289144 (CHEMBL4164968) Show SMILES COc1cc(C)ccc1Oc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1\N=C\c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C31H27F6N5O3/c1-19-3-8-26(27(13-19)43-2)45-28-25(38-17-20-14-21(30(32,33)34)16-22(15-20)31(35,36)37)18-39-29(41-28)40-23-4-6-24(7-5-23)42-9-11-44-12-10-42/h3-8,13-18H,9-12H2,1-2H3,(H,39,40,41)/b38-17+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of LCK (unknown origin) after 120 mins in presence of 33P-ATP				Eur J Med Chem 141: 657-675 (2017) Article DOI: 10.1016/j.ejmech.2017.10.003 BindingDB Entry DOI: 10.7270/Q2CV4M86
					More data for this Ligand-Target Pair