BDBM50124360 CHEMBL3622871

SMILES: CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C

InChI Key: InChIKey=CBENURGLPWKCQB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50124360   

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))	BDBM50124360 (CHEMBL3622871) Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C Show InChI InChI=1S/C18H19N3S/c1-3-9-20-18-21-12-17(22-18)15-8-10-19-11-16(15)14-7-5-4-6-13(14)2/h4-8,10-12H,3,9H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Curated by ChEMBL					Assay Description Inhibition of LIMK1 in human ZR75-1 cells assessed as inhibition of cofilin phosphorylation after 5 hrs				J Med Chem 58: 8309-13 (2015) BindingDB Entry DOI: 10.7270/Q27P917N
					More data for this Ligand-Target Pair
LIM domain kinase 1 (Homo sapiens (Human))	BDBM50124360 (CHEMBL3622871) Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C Show InChI InChI=1S/C18H19N3S/c1-3-9-20-18-21-12-17(22-18)15-8-10-19-11-16(15)14-7-5-4-6-13(14)2/h4-8,10-12H,3,9H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	82	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