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SMILES: CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XSIVUDDVVOILTG-DNQXCXABSA-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 4 hits for monomerid = 50297129   
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


(Homo sapiens (Human))
BDBM50297129
PNG
(CHEMBL552481 | endo-1-ethyl-3-(3-(8-methyl-8-azabi...)
Show SMILES CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C26H35N3O/c1-3-27-25(30)28-19-26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)18-20-16-23-14-15-24(17-20)29(23)2/h4-13,20,23-24H,3,14-19H2,1-2H3,(H2,27,28,30)/t23-,24-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 1.28E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 4560-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.006
BindingDB Entry DOI: 10.7270/Q2DB81WW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297129
PNG
(CHEMBL552481 | endo-1-ethyl-3-(3-(8-methyl-8-azabi...)
Show SMILES CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C26H35N3O/c1-3-27-25(30)28-19-26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)18-20-16-23-14-15-24(17-20)29(23)2/h4-13,20,23-24H,3,14-19H2,1-2H3,(H2,27,28,30)/t23-,24-/m1/s1
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297129
PNG
(CHEMBL552481 | endo-1-ethyl-3-(3-(8-methyl-8-azabi...)
Show SMILES CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C26H35N3O/c1-3-27-25(30)28-19-26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)18-20-16-23-14-15-24(17-20)29(23)2/h4-13,20,23-24H,3,14-19H2,1-2H3,(H2,27,28,30)/t23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.94E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 4560-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.006
BindingDB Entry DOI: 10.7270/Q2DB81WW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50297129
PNG
(CHEMBL552481 | endo-1-ethyl-3-(3-(8-methyl-8-azabi...)
Show SMILES CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C26H35N3O/c1-3-27-25(30)28-19-26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)18-20-16-23-14-15-24(17-20)29(23)2/h4-13,20,23-24H,3,14-19H2,1-2H3,(H2,27,28,30)/t23-,24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity against human cloned muscarinic M2 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...


Bioorg Med Chem Lett 19: 4560-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.006
BindingDB Entry DOI: 10.7270/Q2DB81WW
More data for this
Ligand-Target Pair