BDBM50134196 CHEMBL3736126

SMILES: COc1ccc2nc(Oc3ccc(Cl)cc3Cl)nc(NCc3occc3C)c2c1

InChI Key: InChIKey=SJMDAOBRIXHZCG-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 = 50134196   

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
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50134196 (CHEMBL3736126) Show SMILES COc1ccc2nc(Oc3ccc(Cl)cc3Cl)nc(NCc3occc3C)c2c1 Show InChI InChI=1S/C21H17Cl2N3O3/c1-12-7-8-28-19(12)11-24-20-15-10-14(27-2)4-5-17(15)25-21(26-20)29-18-6-3-13(22)9-16(18)23/h3-10H,11H2,1-2H3,(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yonsei University Curated by ChEMBL					Assay Description Antagonist activity at protease-activated receptor 2 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of trypsin-induced calcium flu...				Bioorg Med Chem 23: 7717-27 (2015) BindingDB Entry DOI: 10.7270/Q2VH5QP3
					More data for this Ligand-Target Pair