BDBM50029603 CHEMBL287919::L-745337::L745,337::N-[6-(2,4-Difluoro-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F

InChI Key: InChIKey=HDUWKQUHMUSICC-UHFFFAOYSA-N

Data: 3 KI  8 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 11 hits for monomerid = 50029603   

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))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 in human U937 cells				J Med Chem 38: 4897-905 (1996) BindingDB Entry DOI: 10.7270/Q28051PC
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of prostaglandin G/H synthase 2 (COX-2).				J Med Chem 38: 4570-8 (1995) BindingDB Entry DOI: 10.7270/Q23N22D2
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarcoma 143 cells				J Med Chem 38: 4897-905 (1996) BindingDB Entry DOI: 10.7270/Q28051PC
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay				Bioorg Med Chem Lett 9: 151-6 (1999) BindingDB Entry DOI: 10.7270/Q21G0KFM
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of purified recombinant human Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 9: 151-6 (1999) BindingDB Entry DOI: 10.7270/Q21G0KFM
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamster ovary) cells				Bioorg Med Chem Lett 9: 151-6 (1999) BindingDB Entry DOI: 10.7270/Q21G0KFM
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay				Bioorg Med Chem Lett 9: 151-6 (1999) BindingDB Entry DOI: 10.7270/Q21G0KFM
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50029603 (CHEMBL287919 | L-745337 | L745,337 | N-[6-(2,4-Dif...) Show SMILES CS(=O)(=O)Nc1cc2CCC(=O)c2cc1Sc1ccc(F)cc1F Show InChI InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of prostaglandin G/H synthase 1.				J Med Chem 38: 4570-8 (1995) BindingDB Entry DOI: 10.7270/Q23N22D2
					More data for this Ligand-Target Pair