BDBM50536687 CHEMBL4579339

SMILES: Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1O

InChI Key: InChIKey=XNFKXJMQKWMQNN-MSOLQXFVSA-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 = 50536687   

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
Serine/threonine-protein kinase c-TAK1 (Homo sapiens (Human))	BDBM50536687 (CHEMBL4579339) Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1O |r| Show InChI InChI=1S/C21H22N6O2S/c1-26-10-15(8-23-26)14-7-22-20-16(9-24-27(20)11-14)13-6-19(30-12-13)21(29)25-17-4-2-3-5-18(17)28/h6-12,17-18,28H,2-5H2,1H3,(H,25,29)/t17-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck and Co. Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculovirus expression system using biotinylated-Cdc25C peptide substrate m...				Bioorg Med Chem Lett 26: 4362-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.003
					More data for this Ligand-Target Pair