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BDBM50341508 (S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine::CHEMBL1765633

SMILES: CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1

InChI Key: InChIKey=UTFOVXIJDJSMKK-VWLOTQADSA-N

Data: 9 KI  6 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 15 hits for monomerid = 50341508   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2long receptor expressed in HEK293 cells co-expressing Galphao1 assessed as incorporation of [35S]GTPgammaS into ...


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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6.80E+3n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine cerebral cortex after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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150n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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77n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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n/an/an/an/a 0.0560n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in HEK293 cells co-expressing Galphao1 assessed as incorporation of [35S]GTPgammaS into Galp...


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2long receptor expressed in CHO cells assessed as increase of forskolin-induced cAMP accumulation by bioluminesce...


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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n/an/an/an/a 0.510n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2long receptor expressed in CHO cells assessed as induction of [3H]thymidine incorporation after 2 hrs


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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n/an/an/an/a 0.00280n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHO cells assessed as induction of [3H]thymidine incorporation after 2 hrs


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.0760n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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1n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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0.0270n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50341508
PNG
((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1
Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1
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n/an/an/an/a 370n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D2long receptor expressed in HEK293 cells co-expressing Galphai2 assessed as incorporation of [35S]GTPgammaS into ...


J Med Chem 54: 2477-91 (2011)


Article DOI: 10.1021/jm101639t
BindingDB Entry DOI: 10.7270/Q2V1253W
More data for this
Ligand-Target Pair