BDBM50390774 CHEMBL2070492

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

InChI Key: InChIKey=HGEMEBXHIFACIK-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 = 50390774   

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))	BDBM50390774 (CHEMBL2070492) Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C20H17ClN6OS/c1-2-5-24-20-25-11-18(29-20)16-9-15(13-4-3-12(28)8-14(13)21)26-19(27-16)17-10-22-6-7-23-17/h3-4,6-11,28H,2,5H2,1H3,(H,24,25)	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	7.73E+3	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))	BDBM50390774 (CHEMBL2070492) Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C20H17ClN6OS/c1-2-5-24-20-25-11-18(29-20)16-9-15(13-4-3-12(28)8-14(13)21)26-19(27-16)17-10-22-6-7-23-17/h3-4,6-11,28H,2,5H2,1H3,(H,24,25)	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))	BDBM50390774 (CHEMBL2070492) Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C20H17ClN6OS/c1-2-5-24-20-25-11-18(29-20)16-9-15(13-4-3-12(28)8-14(13)21)26-19(27-16)17-10-22-6-7-23-17/h3-4,6-11,28H,2,5H2,1H3,(H,24,25)	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))	BDBM50390774 (CHEMBL2070492) Show SMILES CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C20H17ClN6OS/c1-2-5-24-20-25-11-18(29-20)16-9-15(13-4-3-12(28)8-14(13)21)26-19(27-16)17-10-22-6-7-23-17/h3-4,6-11,28H,2,5H2,1H3,(H,24,25)	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	>1.25E+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