BDBM50390795 CHEMBL2070619

SMILES: COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1

InChI Key: InChIKey=XACSASLXEAYEEO-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 = 50390795   

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))	BDBM50390795 (CHEMBL2070619) Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1 Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)	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	30	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))	BDBM50390795 (CHEMBL2070619) Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1 Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)	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))	BDBM50390795 (CHEMBL2070619) Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1 Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)	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))	BDBM50390795 (CHEMBL2070619) Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1 Show InChI InChI=1S/C20H14Cl2N6O2S/c1-10(29)26-20-25-9-17(31-20)14-7-15(18-12(21)5-11(30-2)6-13(18)22)28-19(27-14)16-8-23-3-4-24-16/h3-9H,1-2H3,(H,25,26,29)	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	8	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