BDBM50062718 CHEMBL3397711

SMILES: CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O

InChI Key: InChIKey=DJWCOLZZSVTCLG-ALAPOLCNSA-N

Data: 5 IC50  2 EC50

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 7 hits for monomerid = 50062718   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LO in human human PMNL assessed as reduction in 5-LO product formation pre-incubated for 15 mins before addition of arachidonic acid ...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	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	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARgamma ligand binding domain expressed in COS7 cells by dual luciferase reporter gene assay				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as inhi...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in interleukin-1beta-stimulated human A549 microsomal membranes preincubated for 15 mins before PGH2 ad...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of ovine COX1-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysis				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2-mediated 12-HHT formation preincubated for 5 mins before arachidonic acid addition by HPLC analysis				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50062718 (CHEMBL3397711) Show SMILES CCCC\C(=C/c1cc(OC\C=C\c2ccccc2)ccc1OCc1ccc(cc1)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H29F3O4/c1-2-3-11-24(29(34)35)19-25-20-27(36-18-7-10-22-8-5-4-6-9-22)16-17-28(25)37-21-23-12-14-26(15-13-23)30(31,32)33/h4-10,12-17,19-20H,2-3,11,18,21H2,1H3,(H,34,35)/b10-7+,24-19+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of wild-type human presenilin-1 stably overexpressed in CHO cells co-expressing wild-type human amyloid precursor protein assessed as amyl...				Bioorg Med Chem Lett 25: 841-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.073 BindingDB Entry DOI: 10.7270/Q2280989
					More data for this Ligand-Target Pair