BDBM50504650 CHEMBL4574444

SMILES: CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccc(C)cc1

InChI Key: InChIKey=IFEKYQSFTRTHPI-UFFVCSGVSA-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 = 50504650   

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
Cyclooxygenase (Homo sapiens (Human))	BDBM50504650 (CHEMBL4574444) Show SMILES CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C19H20N4O/c1-3-10-21-17-15(12-20)16-5-4-11-23(16)18(17)19(24)22-14-8-6-13(2)7-9-14/h6-10H,3-5,11H2,1-2H3,(H,22,24)/b21-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX1 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50504650 (CHEMBL4574444) Show SMILES CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C19H20N4O/c1-3-10-21-17-15(12-20)16-5-4-11-23(16)18(17)19(24)22-14-8-6-13(2)7-9-14/h6-10H,3-5,11H2,1-2H3,(H,22,24)/b21-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX2 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair