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SMILES: CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1

InChI Key: InChIKey=DDXKWKGIBLVYQU-UHFFFAOYSA-N

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 5 hits for monomerid = 50474504   
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 M2


(Homo sapiens (Human))
BDBM50474504
PNG
(CHEMBL354523)
Show SMILES CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|
Show InChI InChI=1S/C21H25ClN2/c1-4-18(20-7-5-6-11-23-20)21-15(10-12-24(2)3)13-16-14-17(22)8-9-19(16)21/h5-9,11,14,18H,4,10,12-13H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
Article
PubMed
107n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University of Mainz

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human muscarinic acetylcholine receptor M2 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine


J Med Chem 46: 856-67 (2003)


Article DOI: 10.1021/jm020895l
BindingDB Entry DOI: 10.7270/Q2XK8J83
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50474504
PNG
(CHEMBL354523)
Show SMILES CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|
Show InChI InChI=1S/C21H25ClN2/c1-4-18(20-7-5-6-11-23-20)21-15(10-12-24(2)3)13-16-14-17(22)8-9-19(16)21/h5-9,11,14,18H,4,10,12-13H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
224n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University of Mainz

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human muscarinic acetylcholine receptor M1 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine


J Med Chem 46: 856-67 (2003)


Article DOI: 10.1021/jm020895l
BindingDB Entry DOI: 10.7270/Q2XK8J83
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50474504
PNG
(CHEMBL354523)
Show SMILES CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|
Show InChI InChI=1S/C21H25ClN2/c1-4-18(20-7-5-6-11-23-20)21-15(10-12-24(2)3)13-16-14-17(22)8-9-19(16)21/h5-9,11,14,18H,4,10,12-13H2,1-3H3
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UniChem
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282n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University of Mainz

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human muscarinic acetylcholine receptor M3 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine


J Med Chem 46: 856-67 (2003)


Article DOI: 10.1021/jm020895l
BindingDB Entry DOI: 10.7270/Q2XK8J83
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50474504
PNG
(CHEMBL354523)
Show SMILES CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|
Show InChI InChI=1S/C21H25ClN2/c1-4-18(20-7-5-6-11-23-20)21-15(10-12-24(2)3)13-16-14-17(22)8-9-19(16)21/h5-9,11,14,18H,4,10,12-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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776n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University of Mainz

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human muscarinic acetylcholine receptor M5 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine


J Med Chem 46: 856-67 (2003)


Article DOI: 10.1021/jm020895l
BindingDB Entry DOI: 10.7270/Q2XK8J83
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50474504
PNG
(CHEMBL354523)
Show SMILES CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|
Show InChI InChI=1S/C21H25ClN2/c1-4-18(20-7-5-6-11-23-20)21-15(10-12-24(2)3)13-16-14-17(22)8-9-19(16)21/h5-9,11,14,18H,4,10,12-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
832n/an/an/an/an/an/an/an/a



Johannes Gutenberg-University of Mainz

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human muscarinic acetylcholine receptor M4 stably expressed in CHO-K1 cells using [3H]N-methylscopolamine


J Med Chem 46: 856-67 (2003)


Article DOI: 10.1021/jm020895l
BindingDB Entry DOI: 10.7270/Q2XK8J83
More data for this
Ligand-Target Pair