BDBM50014165 CHEMBL3260862

SMILES: CN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1

InChI Key: InChIKey=YVKSIINQVAYIQG-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 = 50014165   

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-2) (Ovis aries (Sheep))	BDBM50014165 (CHEMBL3260862) Show SMILES CN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1 Show InChI InChI=1S/C21H23Cl2N5OS/c1-26-9-11-27(12-10-26)14-28-21(30)29-19(25-28)13-15-5-2-3-8-18(15)24-20-16(22)6-4-7-17(20)23/h2-8,24H,9-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50014165 (CHEMBL3260862) Show SMILES CN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1 Show InChI InChI=1S/C21H23Cl2N5OS/c1-26-9-11-27(12-10-26)14-28-21(30)29-19(25-28)13-15-5-2-3-8-18(15)24-20-16(22)6-4-7-17(20)23/h2-8,24H,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
K.L.E.U's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay				Bioorg Med Chem 22: 2855-66 (2014) Article DOI: 10.1016/j.bmc.2014.03.043 BindingDB Entry DOI: 10.7270/Q26H4JXW
					More data for this Ligand-Target Pair