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BDBM50181839 CHEMBL202434::N-exo-((4S,7alphaS)-tetrahydro-1H-pyrrolizin-4(5H)-yl)-6-chloroimidazo[1,2-a]pyridine-8-carboxamide

SMILES: Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1

InChI Key: InChIKey=SKYGATVDBNOBSE-FZMZJTMJSA-N

Data: 2 KI  7 IC50  1 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 10 hits for monomerid = 50181839   
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
HTR4


(GUINEA PIG)
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
UniProtKB/SwissProt

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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
PDB

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259n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-1 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonism at 5HT4 receptor in rat tunica muscularis mucosa


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
PDB

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D1


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta-1 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic beta-2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50181839
PNG
(CHEMBL202434 | N-exo-((4S,7alphaS)-tetrahydro-1H-p...)
Show SMILES Clc1cc(C(=O)NC[C@@H]2CCN3CCC[C@@H]23)c2nccn2c1
Show InChI InChI=1S/C16H19ClN4O/c17-12-8-13(15-18-4-7-21(15)10-12)16(22)19-9-11-3-6-20-5-1-2-14(11)20/h4,7-8,10-11,14H,1-3,5-6,9H2,(H,19,22)/t11-,14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2 receptor


J Med Chem 49: 1125-39 (2006)


Article DOI: 10.1021/jm0509501
BindingDB Entry DOI: 10.7270/Q2W096Q0
More data for this
Ligand-Target Pair