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BDBM50002829 (2S,5S)-2-(3-Methanesulfonyl-5-methoxy-4-propoxy-phenyl)-5-(3,4,5-trimethoxy-phenyl)-tetrahydro-furan::CHEMBL37781::L-659,989::L-659,989, (+)::L-659989::L-662,418

SMILES: CCCOc1c(OC)cc(cc1S(C)(=O)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=NZWPFJNQOZFEDT-ROUUACIJSA-N

Data: 6 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 6 hits for monomerid = 50002829   
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
Cholinergic, muscarinic


(RABBIT)
BDBM50002829
PNG
((2S,5S)-2-(3-Methanesulfonyl-5-methoxy-4-propoxy-p...)
Show SMILES CCCOc1c(OC)cc(cc1S(C)(=O)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1
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PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(RABBIT)
BDBM50002829
PNG
((2S,5S)-2-(3-Methanesulfonyl-5-methoxy-4-propoxy-p...)
Show SMILES CCCOc1c(OC)cc(cc1S(C)(=O)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1
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PubMed
12.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(HUMAN)
BDBM50002829
PNG
((2S,5S)-2-(3-Methanesulfonyl-5-methoxy-4-propoxy-p...)
Show SMILES CCCOc1c(OC)cc(cc1S(C)(=O)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1
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PubMed
14.3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(HUMAN)
BDBM50002829
PNG
((2S,5S)-2-(3-Methanesulfonyl-5-methoxy-4-propoxy-p...)
Show SMILES CCCOc1c(OC)cc(cc1S(C)(=O)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1
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PubMed
152n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Cholinergic, muscarinic


(RABBIT)
BDBM50002829
PNG
((2S,5S)-2-(3-Methanesulfonyl-5-methoxy-4-propoxy-p...)
Show SMILES CCCOc1c(OC)cc(cc1S(C)(=O)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
205n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(HUMAN)
BDBM50002829
PNG
((2S,5S)-2-(3-Methanesulfonyl-5-methoxy-4-propoxy-p...)
Show SMILES CCCOc1c(OC)cc(cc1S(C)(=O)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H32O8S/c1-7-10-31-24-21(29-4)13-16(14-22(24)33(6,25)26)18-9-8-17(32-18)15-11-19(27-2)23(30-5)20(12-15)28-3/h11-14,17-18H,7-10H2,1-6H3/t17-,18-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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PubMed
1.11E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair