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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50001050   
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
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50240552
PNG
(CHEMBL195)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16?/m1/s1
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Similars

Article
PubMed
0.640n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50268390
PNG
(CHEMBL4071900)
Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1
Show InChI InChI=1S/C20H30N6O3S/c1-15-19(16(2)29-23-15)30(27,28)26-12-10-24(11-13-26)17-6-7-18(22-21-17)25-9-5-8-20(3,4)14-25/h6-7H,5,8-14H2,1-4H3
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PC cid
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Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human recombinant muscarinic M4 receptor expressed in CHO cell membranes


J Med Chem 34: 1879-84 (1991)


Article DOI: 10.1016/j.bmcl.2017.05.042
BindingDB Entry DOI: 10.7270/Q29G5KR1
More data for this
Ligand-Target Pair