null

SMILES: CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3CCCC(=O)c3c2c1

InChI Key: InChIKey=QKLPHZIAWWXUES-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50279036   

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 1/2 (RAT)	BDBM50279036 (CHEMBL4162061) Show SMILES CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3CCCC(=O)c3c2c1 Show InChI InChI=1S/C20H18ClNO3S/c1-26(24,25)15-9-10-17-16(11-15)20-18(3-2-4-19(20)23)22(17)12-13-5-7-14(21)8-6-13/h5-11H,2-4,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Damanhour University Curated by ChEMBL					Assay Description Inhibition concentration against human adenosine kinase				Eur J Med Chem 141: 306-321 (2017) Article DOI: 10.1016/j.ejmech.2017.09.056 BindingDB Entry DOI: 10.7270/Q2Q242R1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (Homo sapiens (Human))	BDBM50279036 (CHEMBL4162061) Show SMILES CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3CCCC(=O)c3c2c1 Show InChI InChI=1S/C20H18ClNO3S/c1-26(24,25)15-9-10-17-16(11-15)20-18(3-2-4-19(20)23)22(17)12-13-5-7-14(21)8-6-13/h5-11H,2-4,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Damanhour University Curated by ChEMBL					Assay Description Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta				Eur J Med Chem 141: 306-321 (2017) Article DOI: 10.1016/j.ejmech.2017.09.056 BindingDB Entry DOI: 10.7270/Q2Q242R1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50279036 (CHEMBL4162061) Show SMILES CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3CCCC(=O)c3c2c1 Show InChI InChI=1S/C20H18ClNO3S/c1-26(24,25)15-9-10-17-16(11-15)20-18(3-2-4-19(20)23)22(17)12-13-5-7-14(21)8-6-13/h5-11H,2-4,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Damanhour University Curated by ChEMBL					Assay Description Inhibition of human COX-1 using [14C]-arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by t...				Eur J Med Chem 141: 306-321 (2017) Article DOI: 10.1016/j.ejmech.2017.09.056 BindingDB Entry DOI: 10.7270/Q2Q242R1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50279036 (CHEMBL4162061) Show SMILES CS(=O)(=O)c1ccc2n(Cc3ccc(Cl)cc3)c3CCCC(=O)c3c2c1 Show InChI InChI=1S/C20H18ClNO3S/c1-26(24,25)15-9-10-17-16(11-15)20-18(3-2-4-19(20)23)22(17)12-13-5-7-14(21)8-6-13/h5-11H,2-4,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Damanhour University Curated by ChEMBL					Assay Description Inhibition of human COX-2 using [14C]-arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by ...				Eur J Med Chem 141: 306-321 (2017) Article DOI: 10.1016/j.ejmech.2017.09.056 BindingDB Entry DOI: 10.7270/Q2Q242R1
					More data for this Ligand-Target Pair