BDBM50360021 CHEMBL1164701

SMILES: CNc1c(C)n(C)n(-c2ccccc2)c1=O

InChI Key: InChIKey=JILCEWWZTBBOFS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50360021   

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
Prostaglandin G/H synthase (cyclooxygenase) (Mus musculus)	BDBM50360021 (CHEMBL1164701) Show SMILES CNc1c(C)n(C)n(-c2ccccc2)c1=O Show InChI InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universit£t Curated by ChEMBL					Assay Description Inhibition of COX-1 in C57BL/6 mouse brain homogenate				Bioorg Med Chem 20: 101-7 (2011) Article DOI: 10.1016/j.bmc.2011.11.028 BindingDB Entry DOI: 10.7270/Q28S4QBQ
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50360021 (CHEMBL1164701) Show SMILES CNc1c(C)n(C)n(-c2ccccc2)c1=O Show InChI InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-Universit£t Curated by ChEMBL					Assay Description Inhibition of COX-2 in C57BL/6 mouse brain homogenate				Bioorg Med Chem 20: 101-7 (2011) Article DOI: 10.1016/j.bmc.2011.11.028 BindingDB Entry DOI: 10.7270/Q28S4QBQ
					More data for this Ligand-Target Pair