BDBM50362097 CHEMBL1738944

SMILES: Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccccc2)cs1)C(C)(C)C

InChI Key: InChIKey=MZGQVTBIULKWER-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50362097   

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))	BDBM50362097 (CHEMBL1738944) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1nc(CCOCc2ccccc2)cs1)C(C)(C)C Show InChI InChI=1S/C27H31N5O2S/c1-19-10-12-22(13-11-19)32-24(16-23(31-32)27(2,3)4)29-25(33)30-26-28-21(18-35-26)14-15-34-17-20-8-6-5-7-9-20/h5-13,16,18H,14-15,17H2,1-4H3,(H2,28,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Binding affinity to N-terminus His-tagged human p38alpha expressed in Escherichia coli BL21 DE3 after 5 hrs by fluorescence analysis				Eur J Med Chem 48: 1-15 (2012) Article DOI: 10.1016/j.ejmech.2011.11.019 BindingDB Entry DOI: 10.7270/Q2W096CH
					More data for this Ligand-Target Pair				3D Structure (crystal)