BDBM50494239 CHEMBL3086698

SMILES: Nc1cccc(Nc2ccc3c(OCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)c1

InChI Key: InChIKey=GGXXLDVXIODMNQ-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 = 50494239   

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))	BDBM50494239 (CHEMBL3086698) Show SMILES Nc1cccc(Nc2ccc3c(OCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)c1 Show InChI InChI=1S/C26H27N3O4/c27-19-2-1-3-20(14-19)28-21-5-7-23-25(15-21)33-17-18-4-6-22(16-24(18)26(23)30)32-13-10-29-8-11-31-12-9-29/h1-7,14-16,28H,8-13,17,27H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	684	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase in human whole blood assessed as inhibition of LPS-induced TNFalpha release by ELISA				J Med Chem 56: 8561-78 (2013) Article DOI: 10.1021/jm401276h BindingDB Entry DOI: 10.7270/Q2Q81H2C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50494239 (CHEMBL3086698) Show SMILES Nc1cccc(Nc2ccc3c(OCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)c1 Show InChI InChI=1S/C26H27N3O4/c27-19-2-1-3-20(14-19)28-21-5-7-23-25(15-21)33-17-18-4-6-22(16-24(18)26(23)30)32-13-10-29-8-11-31-12-9-29/h1-7,14-16,28H,8-13,17,27H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-University T£bingen Curated by ChEMBL					Assay Description Competitive inhibition of p38alpha MAP kinase (unknown origin) in presence of 100 uM ATP				J Med Chem 56: 8561-78 (2013) Article DOI: 10.1021/jm401276h BindingDB Entry DOI: 10.7270/Q2Q81H2C
					More data for this Ligand-Target Pair