BDBM50171470 CHEMBL191162::{3-[2-(1,1-Diphenyl-butylsulfanyl)-ethyl]-2-hydroxymethyl-benzofuran-7-yloxy}-acetic acid

SMILES: CCCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=GDKUAZTYZWITOB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50171470   

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
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50171470 (CHEMBL191162 | {3-[2-(1,1-Diphenyl-butylsulfanyl)-...) Show SMILES CCCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30O5S/c1-2-17-29(21-10-5-3-6-11-21,22-12-7-4-8-13-22)35-18-16-23-24-14-9-15-25(33-20-27(31)32)28(24)34-26(23)19-30/h3-15,30H,2,16-20H2,1H3,(H,31,32)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-APS-314d binding to prostacyclin receptors (IP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50171470 (CHEMBL191162 | {3-[2-(1,1-Diphenyl-butylsulfanyl)-...) Show SMILES CCCC(SCCc1c(CO)oc2c(OCC(O)=O)cccc12)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H30O5S/c1-2-17-29(21-10-5-3-6-11-21,22-12-7-4-8-13-22)35-18-16-23-24-14-9-15-25(33-20-27(31)32)28(24)34-26(23)19-30/h3-15,30H,2,16-20H2,1H3,(H,31,32)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]-SQ-29,548 binding to thromboxane A2 receptors (TP) of human platelet membrane				J Med Chem 48: 5279-94 (2005) Article DOI: 10.1021/jm050194z BindingDB Entry DOI: 10.7270/Q2J67GGC
					More data for this Ligand-Target Pair