BDBM50375799 CHEMBL270611

SMILES: NC1(CC1)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1

InChI Key: InChIKey=CWORPHHUFUMQPV-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 = 50375799   

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))	BDBM50375799 (CHEMBL270611) Show SMILES NC1(CC1)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(29.39,-28.26,;29.39,-26.72,;30.72,-25.94,;30.73,-27.48,;28.04,-25.99,;26.72,-26.8,;27.99,-24.45,;26.65,-23.69,;25.32,-24.47,;23.98,-23.7,;22.65,-24.48,;22.65,-26.02,;21.32,-26.79,;21.32,-28.33,;19.98,-29.1,;19.98,-30.64,;21.32,-31.41,;22.66,-30.63,;22.65,-29.09,;23.98,-28.32,;19.99,-26.02,;18.67,-26.79,;17.34,-26.02,;17.34,-24.48,;16,-23.72,;18.67,-23.7,;18.67,-22.16,;17.34,-21.39,;16.01,-22.17,;17.34,-19.86,;18.68,-19.08,;20.01,-19.85,;20.01,-21.39,;21.35,-22.16,;20,-24.48,;21.32,-23.72,)| Show InChI InChI=1S/C27H22Cl3N3O3/c28-20-5-2-1-4-17(20)19-14-16(36-13-12-32-26(35)27(31)10-11-27)15-23-18(19)8-9-24(34)33(23)25-21(29)6-3-7-22(25)30/h1-9,14-15H,10-13,31H2,(H,32,35)	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	1.5	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))	BDBM50375799 (CHEMBL270611) Show SMILES NC1(CC1)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 |(29.39,-28.26,;29.39,-26.72,;30.72,-25.94,;30.73,-27.48,;28.04,-25.99,;26.72,-26.8,;27.99,-24.45,;26.65,-23.69,;25.32,-24.47,;23.98,-23.7,;22.65,-24.48,;22.65,-26.02,;21.32,-26.79,;21.32,-28.33,;19.98,-29.1,;19.98,-30.64,;21.32,-31.41,;22.66,-30.63,;22.65,-29.09,;23.98,-28.32,;19.99,-26.02,;18.67,-26.79,;17.34,-26.02,;17.34,-24.48,;16,-23.72,;18.67,-23.7,;18.67,-22.16,;17.34,-21.39,;16.01,-22.17,;17.34,-19.86,;18.68,-19.08,;20.01,-19.85,;20.01,-21.39,;21.35,-22.16,;20,-24.48,;21.32,-23.72,)| Show InChI InChI=1S/C27H22Cl3N3O3/c28-20-5-2-1-4-17(20)19-14-16(36-13-12-32-26(35)27(31)10-11-27)15-23-18(19)8-9-24(34)33(23)25-21(29)6-3-7-22(25)30/h1-9,14-15H,10-13,31H2,(H,32,35)	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	1.01E+3	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