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BDBM50294115 CHEMBL550222::N-(4-(4-(2-(methylthio)phenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-2-carboxamide

SMILES: CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1

InChI Key: InChIKey=DWEHMLBGRQZUJA-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50294115   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
UniProtKB/SwissProt

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0.350n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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PC sid
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PubMed
0.630n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D4 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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16n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D2L receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
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37n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D2L receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
Reactome pathway
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65n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50294115
PNG
(CHEMBL550222 | N-(4-(4-(2-(methylthio)phenyl)piper...)
Show SMILES CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
Show InChI InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
160n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human cloned dopamine D3 receptor expressed in HEK293 cells


J Med Chem 52: 4923-35 (2009)


Article DOI: 10.1021/jm900690y
BindingDB Entry DOI: 10.7270/Q2PK0G5Q
More data for this
Ligand-Target Pair