BDBM50204422 CHEMBL3903347

SMILES: Cc1cc(C)c2c(n1)sn(CCC(=O)N1CCN(CC1)c1ccccc1)c2=O

InChI Key: InChIKey=OESOLZUEADXPII-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 = 50204422   

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))	BDBM50204422 (CHEMBL3903347) Show SMILES Cc1cc(C)c2c(n1)sn(CCC(=O)N1CCN(CC1)c1ccccc1)c2=O Show InChI InChI=1S/C21H24N4O2S/c1-15-14-16(2)22-20-19(15)21(27)25(28-20)9-8-18(26)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.68E+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-1 (COX-1) (Homo sapiens (Human))	BDBM50204422 (CHEMBL3903347) Show SMILES Cc1cc(C)c2c(n1)sn(CCC(=O)N1CCN(CC1)c1ccccc1)c2=O Show InChI InChI=1S/C21H24N4O2S/c1-15-14-16(2)22-20-19(15)21(27)25(28-20)9-8-18(26)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+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))	BDBM50204422 (CHEMBL3903347) Show SMILES Cc1cc(C)c2c(n1)sn(CCC(=O)N1CCN(CC1)c1ccccc1)c2=O Show InChI InChI=1S/C21H24N4O2S/c1-15-14-16(2)22-20-19(15)21(27)25(28-20)9-8-18(26)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.07E+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))	BDBM50204422 (CHEMBL3903347) Show SMILES Cc1cc(C)c2c(n1)sn(CCC(=O)N1CCN(CC1)c1ccccc1)c2=O Show InChI InChI=1S/C21H24N4O2S/c1-15-14-16(2)22-20-19(15)21(27)25(28-20)9-8-18(26)24-12-10-23(11-13-24)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.82E+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