BDBM50378797 CHEMBL1215545

SMILES: CCNC(=O)c1cccnc1N1CCN(C)CC1

InChI Key: InChIKey=KCRYVRIFQJRTDD-UHFFFAOYSA-N

Data: 1 IC50

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 = 50378797   

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
Acidic mammalian chitinase (AMCase) (Homo sapiens (Human))	BDBM50378797 (CHEMBL1215545) Show SMILES CCNC(=O)c1cccnc1N1CCN(C)CC1 Show InChI InChI=1S/C13H20N4O/c1-3-14-13(18)11-5-4-6-15-12(11)17-9-7-16(2)8-10-17/h4-6H,3,7-10H2,1-2H3,(H,14,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of acidic mammalian chitinase after 60 mins				J Med Chem 53: 6122-8 (2010) Article DOI: 10.1021/jm100533p BindingDB Entry DOI: 10.7270/Q22N538H
					More data for this Ligand-Target Pair				3D Structure (crystal)