BDBM50197520 CHEMBL3921251

SMILES: Clc1ccc(cc1)S(=O)(=O)NN(C(=O)Oc1ccc2CCCc2c1)c1ccccc1

InChI Key: InChIKey=BLYXIKWGNOINFG-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50197520   

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))	BDBM50197520 (CHEMBL3921251) Show SMILES Clc1ccc(cc1)S(=O)(=O)NN(C(=O)Oc1ccc2CCCc2c1)c1ccccc1 Show InChI InChI=1S/C22H19ClN2O4S/c23-18-10-13-21(14-11-18)30(27,28)24-25(19-7-2-1-3-8-19)22(26)29-20-12-9-16-5-4-6-17(16)15-20/h1-3,7-15,24H,4-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 by enzyme immunoassay				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50197520 (CHEMBL3921251) Show SMILES Clc1ccc(cc1)S(=O)(=O)NN(C(=O)Oc1ccc2CCCc2c1)c1ccccc1 Show InChI InChI=1S/C22H19ClN2O4S/c23-18-10-13-21(14-11-18)30(27,28)24-25(19-7-2-1-3-8-19)22(26)29-20-12-9-16-5-4-6-17(16)15-20/h1-3,7-15,24H,4-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme immunoassay				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Mus musculus)	BDBM50197520 (CHEMBL3921251) Show SMILES Clc1ccc(cc1)S(=O)(=O)NN(C(=O)Oc1ccc2CCCc2c1)c1ccccc1 Show InChI InChI=1S/C22H19ClN2O4S/c23-18-10-13-21(14-11-18)30(27,28)24-25(19-7-2-1-3-8-19)22(26)29-20-12-9-16-5-4-6-17(16)15-20/h1-3,7-15,24H,4-6H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induced PGE2 production after 24 hrs				Bioorg Med Chem Lett 26: 5193-5197 (2016) Article DOI: 10.1016/j.bmcl.2016.09.070 BindingDB Entry DOI: 10.7270/Q2W097WN
					More data for this Ligand-Target Pair