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BDBM50101860 CHEMBL64188::{(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentyl]-butylsulfanyl}-acetic acid

SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O

InChI Key: InChIKey=HZBQZRYBXKBYMJ-OMNKJVMTSA-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 = 50101860   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM50101860
PNG
(CHEMBL64188 | {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-h...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1
UniProtKB/SwissProt

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PC sid
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PubMed
1.20n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid EP4 receptor


(Mus musculus (Mouse))
BDBM50101860
PNG
(CHEMBL64188 | {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-h...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid EP2 Receptor


(Mus musculus (Mouse))
BDBM50101860
PNG
(CHEMBL64188 | {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-h...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1
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49n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP2 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid EP1 Receptor


(Mus musculus (Mouse))
BDBM50101860
PNG
(CHEMBL64188 | {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-h...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1
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200n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for mouse Prostanoid EP1 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50101860
PNG
(CHEMBL64188 | {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-h...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Affinity for human Prostanoid IP receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair
Prostanoid EP4 Receptor


(Mus musculus (Mouse))
BDBM50101860
PNG
(CHEMBL64188 | {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-h...)
Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O
Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1
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n/an/an/an/a 46n/an/an/an/a



Minase Research Institute

Curated by ChEMBL


Assay Description
Effective concentration for increased intracellular c-AMP production by mouse Prostanoid EP4 receptor


Bioorg Med Chem Lett 11: 2033-5 (2001)


BindingDB Entry DOI: 10.7270/Q24B30K2
More data for this
Ligand-Target Pair