BDBM50390772 CHEMBL2070490

SMILES: CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccc1F)-c1cnc(NC(C)C)s1

InChI Key: InChIKey=HWYBNQHAKKZVDU-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 = 50390772   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50390772 (CHEMBL2070490) Show SMILES CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccc1F)-c1cnc(NC(C)C)s1 Show InChI InChI=1S/C24H22ClFN4OS/c1-4-31-15-9-10-16(18(25)11-15)20-12-21(22-13-27-24(32-22)28-14(2)3)30-23(29-20)17-7-5-6-8-19(17)26/h5-14H,4H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	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 MAPK p38alpha				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 1 (Homo sapiens (Human))	BDBM50390772 (CHEMBL2070490) Show SMILES CCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1ccccc1F)-c1cnc(NC(C)C)s1 Show InChI InChI=1S/C24H22ClFN4OS/c1-4-31-15-9-10-16(18(25)11-15)20-12-21(22-13-27-24(32-22)28-14(2)3)30-23(29-20)17-7-5-6-8-19(17)26/h5-14H,4H2,1-3H3,(H,27,28)	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	>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 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