BDBM50390777 CHEMBL2070495

SMILES: CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl

InChI Key: InChIKey=QWETWPHULIMRMN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50390777   

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))	BDBM50390777 (CHEMBL2070495) Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl Show InChI InChI=1S/C25H27ClN6OS/c1-4-9-29-25-30-15-23(34-25)21-13-20(31-24(32-21)22-14-27-10-11-28-22)18-8-7-17(12-19(18)26)33-16(5-2)6-3/h7-8,10-16H,4-6,9H2,1-3H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	359	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LIMK1				Bioorg Med Chem Lett 22: 5995-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.002 BindingDB Entry DOI: 10.7270/Q2K075CJ
					More data for this Ligand-Target Pair
Dual specificity testis-specific protein kinase 2 (Homo sapiens (Human))	BDBM50390777 (CHEMBL2070495) Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl Show InChI InChI=1S/C25H27ClN6OS/c1-4-9-29-25-30-15-23(34-25)21-13-20(31-24(32-21)22-14-27-10-11-28-22)18-8-7-17(12-19(18)26)33-16(5-2)6-3/h7-8,10-16H,4-6,9H2,1-3H3,(H,29,30)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of TESK2				Bioorg Med Chem Lett 22: 5995-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.002 BindingDB Entry DOI: 10.7270/Q2K075CJ
					More data for this Ligand-Target Pair
Dual specificity testis-specific protein kinase 1 (Homo sapiens (Human))	BDBM50390777 (CHEMBL2070495) Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl Show InChI InChI=1S/C25H27ClN6OS/c1-4-9-29-25-30-15-23(34-25)21-13-20(31-24(32-21)22-14-27-10-11-28-22)18-8-7-17(12-19(18)26)33-16(5-2)6-3/h7-8,10-16H,4-6,9H2,1-3H3,(H,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of TESK1				Bioorg Med Chem Lett 22: 5995-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.002 BindingDB Entry DOI: 10.7270/Q2K075CJ
					More data for this Ligand-Target Pair
LIM domain kinase 2 (Homo sapiens (Human))	BDBM50390777 (CHEMBL2070495) Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl Show InChI InChI=1S/C25H27ClN6OS/c1-4-9-29-25-30-15-23(34-25)21-13-20(31-24(32-21)22-14-27-10-11-28-22)18-8-7-17(12-19(18)26)33-16(5-2)6-3/h7-8,10-16H,4-6,9H2,1-3H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LIMK2				Bioorg Med Chem Lett 22: 5995-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.002 BindingDB Entry DOI: 10.7270/Q2K075CJ
					More data for this Ligand-Target Pair