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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM85067'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(1A) dopamine receptor


(RAT)
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
410n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
411n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D1 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
411n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 281: 440-7 (1997)


BindingDB Entry DOI: 10.7270/Q20863TN
More data for this
Ligand-Target Pair