BDBM50124401 CHEMBL1365821

SMILES: Nc1nc(NCC=C)sc1C(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=QZGNNZWLTJDKRG-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 = 50124401   

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
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124401 (CHEMBL1365821) Show SMILES Nc1nc(NCC=C)sc1C(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C14H13N3O3S/c1-2-5-16-14-17-13(15)12(21-14)11(18)8-3-4-9-10(6-8)20-7-19-9/h2-4,6H,1,5,7,15H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate				J Med Chem 58: 8309-13 (2015) BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair