BDBM50215130 CHEMBL320870

SMILES: CC(=O)Nc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1

InChI Key: InChIKey=CSMHNWUEIHXUHB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50215130   

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
MAP kinase p38 (Homo sapiens (Human))	BDBM50215130 (CHEMBL320870) Show SMILES CC(=O)Nc1cc(ncn1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN6O2/c1-16(30)27-20-13-19(24-14-25-20)22-21(17-3-5-18(23)6-4-17)26-15-29(22)8-2-7-28-9-11-31-12-10-28/h3-6,13-15H,2,7-12H2,1H3,(H,24,25,27,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Compound was tested for inhibition of p38 MAP kinase				Bioorg Med Chem Lett 8: 3111-6 (1998) BindingDB Entry DOI: 10.7270/Q2FB554V
					More data for this Ligand-Target Pair