BDBM50394649 CHEMBL2164613

SMILES: COc1cc(C\C=C\c2ccccc2C=CC(O)=O)ccc1OCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12

InChI Key: InChIKey=LNOUZABFZTXHEX-SDZRQRMZSA-N

Data: 1 KI

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 1 hit for monomerid = 50394649   

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 E2 receptor (Homo sapiens (Human))	BDBM50394649 (CHEMBL2164613) Show SMILES COc1cc(C\C=C\c2ccccc2C=CC(O)=O)ccc1OCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |w:14.14,(66.15,-44.12,;64.82,-43.36,;64.81,-41.82,;66.15,-41.04,;66.14,-39.5,;67.47,-38.73,;68.81,-39.5,;68.81,-41.04,;70.14,-41.81,;70.14,-43.35,;71.48,-44.12,;72.81,-43.35,;72.81,-41.81,;71.46,-41.04,;71.46,-39.5,;72.8,-38.73,;72.8,-37.19,;74.13,-36.42,;71.46,-36.42,;64.8,-38.74,;63.47,-39.51,;63.48,-41.05,;62.15,-41.82,;60.81,-41.06,;59.48,-41.83,;58.14,-41.06,;56.81,-41.83,;56.82,-43.37,;55.48,-41.07,;54.14,-41.84,;52.81,-41.07,;51.48,-41.84,;51.48,-43.38,;52.82,-44.15,;54.15,-43.38,;53.08,-45.67,;54.42,-46.43,;51.91,-46.66,;49.35,-44.62,;48.01,-43.85,;48.01,-42.31,;46.67,-41.55,;45.34,-42.32,;44.01,-41.55,;45.35,-43.86,;46.68,-44.63,;46.69,-46.17,;48.02,-46.94,;48.02,-48.48,;49.36,-49.24,;49.36,-50.78,;50.69,-48.47,;50.68,-46.93,;49.35,-46.16,)| Show InChI InChI=1S/C42H34N2O9S/c1-51-38-21-25(5-4-8-26-6-2-3-7-27(26)10-18-39(47)48)9-17-35(38)52-20-19-43-42(54)44-28-11-14-31(34(22-28)41(49)50)40-32-15-12-29(45)23-36(32)53-37-24-30(46)13-16-33(37)40/h2-4,6-18,21-24,45H,5,19-20H2,1H3,(H,47,48)(H,49,50)(H2,43,44,54)/b8-4+,18-10?	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	678	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PGE2 from human EP3R expressed in chem1 cells after 2hrs by beta counting				ACS Med Chem Lett 3: 774-779 (2012) Article DOI: 10.1021/ml300191g BindingDB Entry DOI: 10.7270/Q2DZ09D3
					More data for this Ligand-Target Pair