BDBM50153352 CHEMBL3774941

SMILES: CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O

InChI Key: InChIKey=RIPJZAAQKYNYFH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50153352   

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))	BDBM50153352 (CHEMBL3774941) Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...				Eur J Med Chem 109: 216-37 (2016) BindingDB Entry DOI: 10.7270/Q21C1ZRJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50153352 (CHEMBL3774941) Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...				Eur J Med Chem 109: 216-37 (2016) BindingDB Entry DOI: 10.7270/Q21C1ZRJ
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579) (Rattus norvegicus (rat))	BDBM50153352 (CHEMBL3774941) Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Fondazione Istituto Italiano di Tecnologia Curated by ChEMBL					Assay Description Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...				Eur J Med Chem 109: 216-37 (2016) BindingDB Entry DOI: 10.7270/Q21C1ZRJ
					More data for this Ligand-Target Pair