BDBM50504649 CHEMBL4451436

SMILES: Clc1ccc(\C=N\c2c(C#N)c3CCCn3c2C(=O)Nc2ccc(Br)cc2)cc1

InChI Key: InChIKey=ZEIPMXOYYDKCBK-LGJNPRDNSA-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 = 50504649   

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))	BDBM50504649 (CHEMBL4451436) Show SMILES Clc1ccc(\C=N\c2c(C#N)c3CCCn3c2C(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C22H16BrClN4O/c23-15-5-9-17(10-6-15)27-22(29)21-20(18(12-25)19-2-1-11-28(19)21)26-13-14-3-7-16(24)8-4-14/h3-10,13H,1-2,11H2,(H,27,29)/b26-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50504649 (CHEMBL4451436) Show SMILES Clc1ccc(\C=N\c2c(C#N)c3CCCn3c2C(=O)Nc2ccc(Br)cc2)cc1 Show InChI InChI=1S/C22H16BrClN4O/c23-15-5-9-17(10-6-15)27-22(29)21-20(18(12-25)19-2-1-11-28(19)21)26-13-14-3-7-16(24)8-4-14/h3-10,13H,1-2,11H2,(H,27,29)/b26-13+	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	7.53E+3	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