BDBM50014163 CHEMBL3260860

SMILES: Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCCCC2)c(=S)o1

InChI Key: InChIKey=IOIYMIJFZBAFTJ-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 = 50014163   

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))	BDBM50014163 (CHEMBL3260860) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCCCC2)c(=S)o1 Show InChI InChI=1S/C21H22Cl2N4OS/c22-16-8-6-9-17(23)20(16)24-18-10-3-2-7-15(18)13-19-25-27(21(29)28-19)14-26-11-4-1-5-12-26/h2-3,6-10,24H,1,4-5,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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))	BDBM50014163 (CHEMBL3260860) Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCCCC2)c(=S)o1 Show InChI InChI=1S/C21H22Cl2N4OS/c22-16-8-6-9-17(23)20(16)24-18-10-3-2-7-15(18)13-19-25-27(21(29)28-19)14-26-11-4-1-5-12-26/h2-3,6-10,24H,1,4-5,11-14H2	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