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BDBM50155153 4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmethyl)-5-chloro-2-methoxy-benzamide::CHEMBL3085015

InChI string: InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-

SMILES: COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2

InChI Key: InChIKey=NXFATKJPSQMNCO-MHDMPQQISA-N

Data: 2 KI  4 IC50  2 EC50

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 8 hits for monomerid = 50155153   
Target
(Institution)
LigandTarget
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
GoogleScholar
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25n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor using [3H]GR-65630 as the radioligand in male rat cortical tissue


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
51n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 4 receptor in rat was determined by rat tunica muscularis mucosae assay


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
UniProtKB/SwissProt

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PC sid
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PubMed
n/an/an/an/a 545n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Effective concentration required towards 5-hydroxytryptamine 4 receptor in guinea pig striatum using [3H]GR-113808 as the radioligand


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (human))
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
MMDB

KEGG

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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of 5-hydroxytryptamine 2 receptor using [3H]ketanserin as the radioligand


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 545n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Effective concentration required towards 5-hydroxytryptamine 4 receptor in guinea pig striatum using [3H]GR-113808 as the radioligand


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
MMDB

NCI pathway
Reactome pathway
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
MMDB

KEGG

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antibodypedia
antibodypedia
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of alpha-1 adrenergic receptor using [3H]prazosin as the radioligand


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50155153
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.1*3,7*]dec-4-ylmet...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1C2CC3CC1CN(C3)C2
Show InChI InChI=1S/C18H24ClN3O2/c1-24-17-5-16(20)15(19)4-13(17)18(23)21-6-14-11-2-10-3-12(14)9-22(7-10)8-11/h4-5,10-12,14H,2-3,6-9,20H2,1H3,(H,21,23)/t10?,11?,12?,14-
KEGG

DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of alpha-2 adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)

More data for this
Ligand-Target Pair