BDBM50089651 CHEMBL3576979

SMILES: Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12

InChI Key:

Data: 1 KI  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 3 hits for monomerid = 50089651   

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))	BDBM50089651 (CHEMBL3576979) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant COX-2 by UV-Visible spectrophotometry				Eur J Med Chem 97: 104-23 (2015) Article DOI: 10.1016/j.ejmech.2015.04.044 BindingDB Entry DOI: 10.7270/Q2N87CJN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50089651 (CHEMBL3576979) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as PGF2alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior to substrate...				Eur J Med Chem 97: 104-23 (2015) Article DOI: 10.1016/j.ejmech.2015.04.044 BindingDB Entry DOI: 10.7270/Q2N87CJN
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50089651 (CHEMBL3576979) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(O)=O)c2ccccc12 |r| Show InChI	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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as PGF2 alpha formation using arachidonic acid as substrate pretreated with compound for 20 mins prior...				Eur J Med Chem 97: 104-23 (2015) Article DOI: 10.1016/j.ejmech.2015.04.044 BindingDB Entry DOI: 10.7270/Q2N87CJN
					More data for this Ligand-Target Pair