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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM86282'   
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)
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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1.90n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


Article DOI: 10.1016/s0014-2999(03)02008-9
BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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7n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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15n/an/an/an/an/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH23390 from wild type human D1R expressed in HEK293 cell membranes incubated for 90 mins by scintillation counting based compe...


ACS Med Chem Lett 10: 792-799 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00050
BindingDB Entry DOI: 10.7270/Q26W9FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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n/an/an/an/a 360n/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on beta-arrestin2 recruitment by PRESTO-Tango beta-arrestin2 rec...


ACS Med Chem Lett 10: 792-799 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00050
BindingDB Entry DOI: 10.7270/Q26W9FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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n/an/an/an/a 4.70n/an/an/an/a



University of Texas Medical Branch

Curated by ChEMBL


Assay Description
Agonist activity at wild type human D1R expressed in HEK293 cells assessed as effect on cAMP accumulation incubated for 10 mins by Gs-cAMP Glosensor ...


ACS Med Chem Lett 10: 792-799 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00050
BindingDB Entry DOI: 10.7270/Q26W9FKV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86282
PNG
(6-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]az...)
Show SMILES Oc1cc2C(CNCCc2c(Cl)c1O)c1ccccc1
Show InChI InChI=1S/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2
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Article
PubMed
n/an/an/an/a 9.50E+3n/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human D1 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins...


J Med Chem 62: 5132-5147 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00412
BindingDB Entry DOI: 10.7270/Q2Z03CM2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)