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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholinergic, muscarinic' and Ligand = 'BDBM50002829'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 246: 534-41 (1988)

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

PubMed
12.2n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 246: 534-41 (1988)

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

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



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 246: 534-41 (1988)

More data for this
Ligand-Target Pair