BDBM50360566 CHEMBL1933176

SMILES: O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccccn1

InChI Key: InChIKey=WKBRFCZMWWOFLS-UHFFFAOYSA-N

Data: 2 EC50

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 = 50360566   

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-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360566 (CHEMBL1933176) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccccn1 Show InChI InChI=1S/C22H22N6O2/c29-20-15-12-17(27-19(15)22(13-26-20)5-9-23-10-6-22)14-4-8-25-18(11-14)28-21(30)16-3-1-2-7-24-16/h1-4,7-8,11-12,23,27H,5-6,9-10,13H2,(H,26,29)(H,25,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50360566 (CHEMBL1933176) Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccccn1 Show InChI InChI=1S/C22H22N6O2/c29-20-15-12-17(27-19(15)22(13-26-20)5-9-23-10-6-22)14-4-8-25-18(11-14)28-21(30)16-3-1-2-7-24-16/h1-4,7-8,11-12,23,27H,5-6,9-10,13H2,(H,26,29)(H,25,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK2-mediated HSP27 phosphorylation in LPS-stimulated human THP1 cells pre-incubated for 60 mins prior to LPS-induction measured after 6...				Bioorg Med Chem Lett 22: 613-8 (2011) Article DOI: 10.1016/j.bmcl.2011.10.071 BindingDB Entry DOI: 10.7270/Q2RN389G
					More data for this Ligand-Target Pair