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BDBM85718 AGN 191366

SMILES: CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCc1nnn[nH]1

InChI Key: InChIKey=AOWHTVYCPZKGPH-ONHUYGEDSA-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 = 85718   
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
Prostaglandin Transporter


(Homo sapiens (Human))
BDBM85718
PNG
(AGN 191366)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCc1nnn[nH]1 |r|
Show InChI InChI=1S/C20H34N4O3/c1-2-3-6-9-15(25)12-13-17-16(18(26)14-19(17)27)10-7-4-5-8-11-20-21-23-24-22-20/h4,7,12-13,15-19,25-27H,2-3,5-6,8-11,14H2,1H3,(H,21,22,23,24)/b7-4+,13-12+/t15-,16-,17-,18+,19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
71n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(Homo sapiens (Human))
BDBM85718
PNG
(AGN 191366)
Show SMILES CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCc1nnn[nH]1 |r|
Show InChI InChI=1S/C20H34N4O3/c1-2-3-6-9-15(25)12-13-17-16(18(26)14-19(17)27)10-7-4-5-8-11-20-21-23-24-22-20/h4,7,12-13,15-19,25-27H,2-3,5-6,8-11,14H2,1H3,(H,21,22,23,24)/b7-4+,13-12+/t15-,16-,17-,18+,19-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.13E+3n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine

Curated by PDSP Ki Database




Mol Pharmacol 58: 1511-6 (2000)


Article DOI: 10.1124/mol.58.6.1511
BindingDB Entry DOI: 10.7270/Q2WD3Z4B
More data for this
Ligand-Target Pair