BDBM50375795 CHEMBL403389

SMILES: NCCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1

InChI Key: InChIKey=GGVSUJZXQKWIMG-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 = 50375795   

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))	BDBM50375795 (CHEMBL403389) Show SMILES NCCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(28.21,-17.45,;26.85,-16.74,;26.79,-15.19,;25.5,-14.3,;24.25,-15.23,;25.47,-12.76,;24.12,-12.02,;22.8,-12.81,;21.45,-12.07,;20.13,-12.86,;20.15,-14.4,;18.83,-15.19,;18.85,-16.73,;17.52,-17.51,;17.54,-19.05,;18.89,-19.81,;20.22,-19.01,;20.19,-17.48,;21.51,-16.68,;17.49,-14.44,;16.18,-15.22,;14.83,-14.48,;14.81,-12.94,;13.47,-12.19,;16.13,-12.14,;16.11,-10.6,;14.78,-9.85,;13.46,-10.64,;14.75,-8.31,;16.08,-7.52,;17.43,-8.27,;17.45,-9.81,;18.79,-10.56,;17.47,-12.9,;18.79,-12.12,)| Show InChI InChI=1S/C26H22Cl3N3O3/c27-20-5-2-1-4-17(20)19-14-16(35-13-12-31-24(33)10-11-30)15-23-18(19)8-9-25(34)32(23)26-21(28)6-3-7-22(26)29/h1-9,14-15H,10-13,30H2,(H,31,33)	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	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2222-6 (2008) Article DOI: 10.1016/j.bmcl.2006.10.097 BindingDB Entry DOI: 10.7270/Q23T9J36
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50375795 (CHEMBL403389) Show SMILES NCCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(28.21,-17.45,;26.85,-16.74,;26.79,-15.19,;25.5,-14.3,;24.25,-15.23,;25.47,-12.76,;24.12,-12.02,;22.8,-12.81,;21.45,-12.07,;20.13,-12.86,;20.15,-14.4,;18.83,-15.19,;18.85,-16.73,;17.52,-17.51,;17.54,-19.05,;18.89,-19.81,;20.22,-19.01,;20.19,-17.48,;21.51,-16.68,;17.49,-14.44,;16.18,-15.22,;14.83,-14.48,;14.81,-12.94,;13.47,-12.19,;16.13,-12.14,;16.11,-10.6,;14.78,-9.85,;13.46,-10.64,;14.75,-8.31,;16.08,-7.52,;17.43,-8.27,;17.45,-9.81,;18.79,-10.56,;17.47,-12.9,;18.79,-12.12,)| Show InChI InChI=1S/C26H22Cl3N3O3/c27-20-5-2-1-4-17(20)19-14-16(35-13-12-31-24(33)10-11-30)15-23-18(19)8-9-25(34)32(23)26-21(28)6-3-7-22(26)29/h1-9,14-15H,10-13,30H2,(H,31,33)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of p38-alpha by whole blood assay				Bioorg Med Chem Lett 18: 2222-6 (2008) Article DOI: 10.1016/j.bmcl.2006.10.097 BindingDB Entry DOI: 10.7270/Q23T9J36
					More data for this Ligand-Target Pair