BDBM50354459 CHEMBL1836761

SMILES: CN(C)C(=O)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1

InChI Key: InChIKey=BBUUVNPPIGNPRG-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 = 50354459   

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 BRK (Homo sapiens (Human))	BDBM50354459 (CHEMBL1836761) Show SMILES CN(C)C(=O)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 Show InChI InChI=1S/C16H16N8OS/c1-9-8-24-12(10-5-18-19-6-10)7-17-15(24)14(20-9)21-13-4-11(22-26-13)16(25)23(2)3/h4-8H,1-3H3,(H,18,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BRK pretreated for 30 mins by microplate reader				Bioorg Med Chem Lett 21: 5870-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.101 BindingDB Entry DOI: 10.7270/Q2PR7WCR
					More data for this Ligand-Target Pair