BDBM50204369 CHEMBL3958352

SMILES: Clc1cccc(c1)N1CCN(CC1)C(=O)CCn1sc2ccccc2c1=O

InChI Key: InChIKey=ORCRXIRIZAHGFN-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 = 50204369   

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 (Homo sapiens (Human))	BDBM50204369 (CHEMBL3958352) Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCn1sc2ccccc2c1=O Show InChI InChI=1S/C20H20ClN3O2S/c21-15-4-3-5-16(14-15)22-10-12-23(13-11-22)19(25)8-9-24-20(26)17-6-1-2-7-18(17)27-24/h1-7,14H,8-13H2	PDB UniProtKB/SwissProt 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-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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50204369 (CHEMBL3958352) Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCn1sc2ccccc2c1=O Show InChI InChI=1S/C20H20ClN3O2S/c21-15-4-3-5-16(14-15)22-10-12-23(13-11-22)19(25)8-9-24-20(26)17-6-1-2-7-18(17)27-24/h1-7,14H,8-13H2	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	1.29E+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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50204369 (CHEMBL3958352) Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCn1sc2ccccc2c1=O Show InChI InChI=1S/C20H20ClN3O2S/c21-15-4-3-5-16(14-15)22-10-12-23(13-11-22)19(25)8-9-24-20(26)17-6-1-2-7-18(17)27-24/h1-7,14H,8-13H2	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	1.30E+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
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50204369 (CHEMBL3958352) Show SMILES Clc1cccc(c1)N1CCN(CC1)C(=O)CCn1sc2ccccc2c1=O Show InChI InChI=1S/C20H20ClN3O2S/c21-15-4-3-5-16(14-15)22-10-12-23(13-11-22)19(25)8-9-24-20(26)17-6-1-2-7-18(17)27-24/h1-7,14H,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+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