BDBM50101845 CHEMBL62779::[3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-3-hydroxy-4-[3-(2-methoxy-ethyl)-phenyl]-but-1-enyl}-5-oxo-cyclopentylsulfanyl)-propylsulfanyl]-acetic acid

SMILES: COCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1

InChI Key: InChIKey=HZJSPYQACNBFBE-PKELSGCASA-N

Data: 5 KI  1 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 6 hits for monomerid = 50101845   

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 EP4 Receptor (Mus musculus (Mouse))	BDBM50101845 (CHEMBL62779 | [3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-...) Show SMILES COCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1 Show InChI InChI=1S/C23H32O6S2/c1-29-9-8-16-4-2-5-17(12-16)13-18(24)6-7-19-20(25)14-21(26)23(19)31-11-3-10-30-15-22(27)28/h2,4-7,12,18-20,23-25H,3,8-11,13-15H2,1H3,(H,27,28)/b7-6+/t18-,19+,20-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Evaluated for its competitive binding affinity towards mouse Prostanoid EP4 receptor in CHO cells expressing prostanoid receptor				Bioorg Med Chem Lett 11: 2029-31 (2001) BindingDB Entry DOI: 10.7270/Q2833R9D
					More data for this Ligand-Target Pair
Prostanoid EP3 Receptor (Mus musculus (Mouse))	BDBM50101845 (CHEMBL62779 | [3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-...) Show SMILES COCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1 Show InChI InChI=1S/C23H32O6S2/c1-29-9-8-16-4-2-5-17(12-16)13-18(24)6-7-19-20(25)14-21(26)23(19)31-11-3-10-30-15-22(27)28/h2,4-7,12,18-20,23-25H,3,8-11,13-15H2,1H3,(H,27,28)/b7-6+/t18-,19+,20-,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Evaluated for its competitive binding affinity towards mouse Prostanoid EP3 receptor in CHO cells expressing prostanoid receptor				Bioorg Med Chem Lett 11: 2029-31 (2001) BindingDB Entry DOI: 10.7270/Q2833R9D
					More data for this Ligand-Target Pair
Prostanoid EP2 Receptor (Mus musculus (Mouse))	BDBM50101845 (CHEMBL62779 | [3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-...) Show SMILES COCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1 Show InChI InChI=1S/C23H32O6S2/c1-29-9-8-16-4-2-5-17(12-16)13-18(24)6-7-19-20(25)14-21(26)23(19)31-11-3-10-30-15-22(27)28/h2,4-7,12,18-20,23-25H,3,8-11,13-15H2,1H3,(H,27,28)/b7-6+/t18-,19+,20-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Evaluated for its competitive binding affinity towards mouse Prostanoid EP2 receptor in CHO cells expressing prostanoid receptor				Bioorg Med Chem Lett 11: 2029-31 (2001) BindingDB Entry DOI: 10.7270/Q2833R9D
					More data for this Ligand-Target Pair
Prostanoid EP1 Receptor (Mus musculus (Mouse))	BDBM50101845 (CHEMBL62779 | [3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-...) Show SMILES COCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1 Show InChI InChI=1S/C23H32O6S2/c1-29-9-8-16-4-2-5-17(12-16)13-18(24)6-7-19-20(25)14-21(26)23(19)31-11-3-10-30-15-22(27)28/h2,4-7,12,18-20,23-25H,3,8-11,13-15H2,1H3,(H,27,28)/b7-6+/t18-,19+,20-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Evaluated for its competitive binding affinity towards mouse Prostanoid EP1 receptor in CHO cells expressing prostanoid receptor				Bioorg Med Chem Lett 11: 2029-31 (2001) BindingDB Entry DOI: 10.7270/Q2833R9D
					More data for this Ligand-Target Pair
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50101845 (CHEMBL62779 | [3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-...) Show SMILES COCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1 Show InChI InChI=1S/C23H32O6S2/c1-29-9-8-16-4-2-5-17(12-16)13-18(24)6-7-19-20(25)14-21(26)23(19)31-11-3-10-30-15-22(27)28/h2,4-7,12,18-20,23-25H,3,8-11,13-15H2,1H3,(H,27,28)/b7-6+/t18-,19+,20-,23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Evaluated for its competitive binding affinity towards human Prostanoid IP receptor in CHO cells				Bioorg Med Chem Lett 11: 2029-31 (2001) BindingDB Entry DOI: 10.7270/Q2833R9D
					More data for this Ligand-Target Pair
Prostanoid EP4 receptor (Mus musculus (Mouse))	BDBM50101845 (CHEMBL62779 | [3-((1R,2S,3R)-3-Hydroxy-2-{(E)-(S)-...) Show SMILES COCCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2SCCCSCC(O)=O)c1 Show InChI InChI=1S/C23H32O6S2/c1-29-9-8-16-4-2-5-17(12-16)13-18(24)6-7-19-20(25)14-21(26)23(19)31-11-3-10-30-15-22(27)28/h2,4-7,12,18-20,23-25H,3,8-11,13-15H2,1H3,(H,27,28)/b7-6+/t18-,19+,20-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Effective concentration which increases intracellular c-AMP production in mouse Prostanoid EP4 receptor				Bioorg Med Chem Lett 11: 2029-31 (2001) BindingDB Entry DOI: 10.7270/Q2833R9D
					More data for this Ligand-Target Pair