BDBM50204417 CHEMBL3905241

SMILES: Cc1cc(C)c2c(n1)sn(CCCC(O)=O)c2=O

InChI Key: InChIKey=UGWVBPBRSIYOSY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50204417   

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-1 (COX-1) (Homo sapiens (Human))	BDBM50204417 (CHEMBL3905241) Show SMILES Cc1cc(C)c2c(n1)sn(CCCC(O)=O)c2=O Show InChI InChI=1S/C12H14N2O3S/c1-7-6-8(2)13-11-10(7)12(17)14(18-11)5-3-4-9(15)16/h6H,3-5H2,1-2H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD b...				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50204417 (CHEMBL3905241) Show SMILES Cc1cc(C)c2c(n1)sn(CCCC(O)=O)c2=O Show InChI InChI=1S/C12H14N2O3S/c1-7-6-8(2)13-11-10(7)12(17)14(18-11)5-3-4-9(15)16/h6H,3-5H2,1-2H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD b...				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50204417 (CHEMBL3905241) Show SMILES Cc1cc(C)c2c(n1)sn(CCCC(O)=O)c2=O Show InChI InChI=1S/C12H14N2O3S/c1-7-6-8(2)13-11-10(7)12(17)14(18-11)5-3-4-9(15)16/h6H,3-5H2,1-2H3,(H,15,16)	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	3.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD b...				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50204417 (CHEMBL3905241) Show SMILES Cc1cc(C)c2c(n1)sn(CCCC(O)=O)c2=O Show InChI InChI=1S/C12H14N2O3S/c1-7-6-8(2)13-11-10(7)12(17)14(18-11)5-3-4-9(15)16/h6H,3-5H2,1-2H3,(H,15,16)	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	2.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate preincubated for 2 mins followed by substrate addition in presence of TMPD b...				Bioorg Med Chem 25: 316-326 (2017) Article DOI: 10.1016/j.bmc.2016.10.036 BindingDB Entry DOI: 10.7270/Q21V5GZS
					More data for this Ligand-Target Pair