BDBM50134631 CHEMBL3747017

SMILES: Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCC(CO)CC1

InChI Key: InChIKey=PWDHSXYQEDZMLP-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 = 50134631   

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 8 (Homo sapiens (Human))	BDBM50134631 (CHEMBL3747017) Show SMILES Cn1c2nc(ncc2cc(Oc2c(Cl)cccc2Cl)c1=O)N1CCC(CO)CC1 Show InChI InChI=1S/C20H20Cl2N4O3/c1-25-18-13(10-23-20(24-18)26-7-5-12(11-27)6-8-26)9-16(19(25)28)29-17-14(21)3-2-4-15(17)22/h2-4,9-10,12,27H,5-8,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin)				Bioorg Med Chem Lett 26: 424-8 (2016) BindingDB Entry DOI: 10.7270/Q24T6M6J
					More data for this Ligand-Target Pair