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BDBM85181 BERAPROST::CAS_2352::NSC_2352

SMILES: CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(cccc3CCCC(O)=O)C12

InChI Key: InChIKey=CTPOHARTNNSRSR-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 = 85181   
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
PTGIR


(MOUSE)
BDBM85181
PNG
(BERAPROST | CAS_2352 | NSC_2352)
Show SMILES CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(cccc3CCCC(O)=O)C12 |w:8.7|
Show InChI InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Br J Pharmacol 122: 217-24 (1997)


Article DOI: 10.1038/sj.bjp.0701367
BindingDB Entry DOI: 10.7270/Q26M35CT
More data for this
Ligand-Target Pair
Prostanoid EP3 Receptor


(Mus musculus (Mouse))
BDBM85181
PNG
(BERAPROST | CAS_2352 | NSC_2352)
Show SMILES CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(cccc3CCCC(O)=O)C12 |w:8.7|
Show InChI InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Br J Pharmacol 122: 217-24 (1997)


Article DOI: 10.1038/sj.bjp.0701367
BindingDB Entry DOI: 10.7270/Q26M35CT
More data for this
Ligand-Target Pair