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SMILES: CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(cc2F)-c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=GBMCACAKPAOTOV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50107738   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50107738
PNG
(CHEMBL3600818)
Show SMILES CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(cc2F)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H27ClFN3O2/c1-3-29-26(33)31(2)17-19-6-4-18(5-7-19)14-15-30-25(32)23-13-10-21(16-24(23)28)20-8-11-22(27)12-9-20/h4-13,16H,3,14-15,17H2,1-2H3,(H,29,33)(H,30,32)
PDB
MMDB

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PubMed
n/an/a 8.15E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 25: 3264-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50107738
PNG
(CHEMBL3600818)
Show SMILES CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(cc2F)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H27ClFN3O2/c1-3-29-26(33)31(2)17-19-6-4-18(5-7-19)14-15-30-25(32)23-13-10-21(16-24(23)28)20-8-11-22(27)12-9-20/h4-13,16H,3,14-15,17H2,1-2H3,(H,29,33)(H,30,32)
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n/an/a 36n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Bioorg Med Chem Lett 25: 3264-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50107738
PNG
(CHEMBL3600818)
Show SMILES CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(cc2F)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H27ClFN3O2/c1-3-29-26(33)31(2)17-19-6-4-18(5-7-19)14-15-30-25(32)23-13-10-21(16-24(23)28)20-8-11-22(27)12-9-20/h4-13,16H,3,14-15,17H2,1-2H3,(H,29,33)(H,30,32)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 3264-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50107738
PNG
(CHEMBL3600818)
Show SMILES CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(cc2F)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H27ClFN3O2/c1-3-29-26(33)31(2)17-19-6-4-18(5-7-19)14-15-30-25(32)23-13-10-21(16-24(23)28)20-8-11-22(27)12-9-20/h4-13,16H,3,14-15,17H2,1-2H3,(H,29,33)(H,30,32)
PDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 receptor (unknown origin)


Bioorg Med Chem Lett 25: 3264-9 (2015)


BindingDB Entry DOI: 10.7270/Q25D8TMB
More data for this
Ligand-Target Pair