BDBM50368087 CHEMBL3215566::CHEMBL493170

SMILES: Cl.Cl.NC(=N)c1cccc(OCCCCCOc2cccc(c2)C(N)=N)c1

InChI Key: InChIKey=PASMXCHSIJZQBM-UHFFFAOYSA-N

Data: 1 KI

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 = 50368087   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50368087 (CHEMBL3215566 | CHEMBL493170) Show SMILES Cl.Cl.NC(=N)c1cccc(OCCCCCOc2cccc(c2)C(N)=N)c1 Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-6-4-8-16(12-14)24-10-2-1-3-11-25-17-9-5-7-15(13-17)19(22)23/h4-9,12-13H,1-3,10-11H2,(H3,20,21)(H3,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibition of trypsin by amidase assay.				J Med Chem 33: 1252-7 (1990) BindingDB Entry DOI: 10.7270/Q2154HNW
					More data for this Ligand-Target Pair