BDBM50229317 (3S,5R)-3-hydroxy-5-(iodomethyl)-3-(1-tosyl-1H-indol-3-yl)-dihydrofuran-2(3H)-one::CHEMBL252444

SMILES: Cc1ccc(cc1)S(=O)(=O)n1cc(c2ccccc12)[C@@]1(O)C[C@H](CI)OC1=O

InChI Key: InChIKey=YALVAXXGZAEUBN-VLIAUNLRSA-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 = 50229317   

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))	BDBM50229317 ((3S,5R)-3-hydroxy-5-(iodomethyl)-3-(1-tosyl-1H-ind...) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(c2ccccc12)[C@@]1(O)C[C@H](CI)OC1=O Show InChI InChI=1S/C20H18INO5S/c1-13-6-8-15(9-7-13)28(25,26)22-12-17(16-4-2-3-5-18(16)22)20(24)10-14(11-21)27-19(20)23/h2-9,12,14,24H,10-11H2,1H3/t14-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of ovine COX2				Bioorg Med Chem Lett 18: 85-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.010 BindingDB Entry DOI: 10.7270/Q21C1WNC
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50229317 ((3S,5R)-3-hydroxy-5-(iodomethyl)-3-(1-tosyl-1H-ind...) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(c2ccccc12)[C@@]1(O)C[C@H](CI)OC1=O Show InChI InChI=1S/C20H18INO5S/c1-13-6-8-15(9-7-13)28(25,26)22-12-17(16-4-2-3-5-18(16)22)20(24)10-14(11-21)27-19(20)23/h2-9,12,14,24H,10-11H2,1H3/t14-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of ovine COX1				Bioorg Med Chem Lett 18: 85-9 (2008) Article DOI: 10.1016/j.bmcl.2007.11.010 BindingDB Entry DOI: 10.7270/Q21C1WNC
					More data for this Ligand-Target Pair