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SMILES: CCc1cc2c(Nc3ccc(F)cc3N=C2N2CC(C)N(C)C(C)C2)s1

InChI Key: InChIKey=GBUCMOFKIFALMI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50223712   
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
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50223712
PNG
(CHEMBL274043)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CC(C)N(C)C(C)C2)s1 |c:15|
Show InChI InChI=1S/C20H25FN4S/c1-5-15-9-16-19(25-10-12(2)24(4)13(3)11-25)22-18-8-14(21)6-7-17(18)23-20(16)26-15/h6-9,12-13,23H,5,10-11H2,1-4H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 258n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from Muscarinic acetylcholine receptor of rat brain membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50223712
PNG
(CHEMBL274043)
Show SMILES CCc1cc2c(Nc3ccc(F)cc3N=C2N2CC(C)N(C)C(C)C2)s1 |c:15|
Show InChI InChI=1S/C20H25FN4S/c1-5-15-9-16-19(25-10-12(2)24(4)13(3)11-25)22-18-8-14(21)6-7-17(18)23-20(16)26-15/h6-9,12-13,23H,5,10-11H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 91n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from Dopamine receptor of rat striatum membrane


J Med Chem 25: 1133-40 (1982)


BindingDB Entry DOI: 10.7270/Q2K64M9Z
More data for this
Ligand-Target Pair