BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 158 hits Enz. Inhib. hit(s) with all data for entry = 50009636   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530563
PNG
(CHEMBL4519938 | US11337971, Compound (R)-19)
Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.290n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530563
PNG
(CHEMBL4519938 | US11337971, Compound (R)-19)
Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.290n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530572
PNG
(CHEMBL4584497 | US11337971, Compound (R)-C5a)
Show SMILES CCc1cccc(N2CCN(C[C@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.373n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530572
PNG
(CHEMBL4584497 | US11337971, Compound (R)-C5a)
Show SMILES CCc1cccc(N2CCN(C[C@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.373n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530577
PNG
(CHEMBL4451683 | US11337971, Compound (+-)-19)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.433n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530577
PNG
(CHEMBL4451683 | US11337971, Compound (+-)-19)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.433n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530570
PNG
(CHEMBL4515234 | US11337971, Compound C5a)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.756n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530570
PNG
(CHEMBL4515234 | US11337971, Compound C5a)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.756n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530573
PNG
(CHEMBL4446609 | US11337971, Compound (S)-C5a)
Show SMILES CCc1cccc(N2CCN(C[C@@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.840n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530573
PNG
(CHEMBL4446609 | US11337971, Compound (S)-C5a)
Show SMILES CCc1cccc(N2CCN(C[C@@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.840n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530564
PNG
(CHEMBL4483569 | US11337971, Compound (S)-19)
Show SMILES CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.886n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530564
PNG
(CHEMBL4483569 | US11337971, Compound (S)-19)
Show SMILES CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.886n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530569
PNG
(CHEMBL4518618 | US11337971, Compound 113b)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3ccc4OCOc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H30ClN3O4/c1-2-17-4-3-5-20(23(17)25)28-12-10-27(11-13-28)15-19(29)8-9-26-24(30)18-6-7-21-22(14-18)32-16-31-21/h3-7,14,19,29H,2,8-13,15-16H2,1H3,(H,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530569
PNG
(CHEMBL4518618 | US11337971, Compound 113b)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3ccc4OCOc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H30ClN3O4/c1-2-17-4-3-5-20(23(17)25)28-12-10-27(11-13-28)15-19(29)8-9-26-24(30)18-6-7-21-22(14-18)32-16-31-21/h3-7,14,19,29H,2,8-13,15-16H2,1H3,(H,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530575
PNG
(CHEMBL4463620)
Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H32N4O4/c1-2-18-14-24-25(34-17-33-24)15-23(18)30-11-9-29(10-12-30)16-20(31)7-8-27-26(32)22-13-19-5-3-4-6-21(19)28-22/h3-6,13-15,20,28,31H,2,7-12,16-17H2,1H3,(H,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530575
PNG
(CHEMBL4463620)
Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H32N4O4/c1-2-18-14-24-25(34-17-33-24)15-23(18)30-11-9-29(10-12-30)16-20(31)7-8-27-26(32)22-13-19-5-3-4-6-21(19)28-22/h3-6,13-15,20,28,31H,2,7-12,16-17H2,1H3,(H,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530562
PNG
(CHEMBL4555827 | US11337971, Compound (R)-29)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530562
PNG
(CHEMBL4555827 | US11337971, Compound (R)-29)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530576
PNG
(CHEMBL4476394 | US11337971, Compound (+-)-29)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530576
PNG
(CHEMBL4476394 | US11337971, Compound (+-)-29)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530567
PNG
(CHEMBL4436317 | US11337971, Compound (R)-C4a)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530567
PNG
(CHEMBL4436317 | US11337971, Compound (R)-C4a)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@H](F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50530563
PNG
(CHEMBL4519938 | US11337971, Compound (R)-19)
Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I] DOI from 5HT2A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50530563
PNG
(CHEMBL4519938 | US11337971, Compound (R)-19)
Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I] DOI from 5HT2A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530561
PNG
(CHEMBL4465596)
Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C26H31N3O5/c1-2-18-13-23-24(33-17-32-23)15-21(18)29-11-9-28(10-12-29)16-20(30)7-8-27-26(31)25-14-19-5-3-4-6-22(19)34-25/h3-6,13-15,20,30H,2,7-12,16-17H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530561
PNG
(CHEMBL4465596)
Show SMILES CCc1cc2OCOc2cc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C26H31N3O5/c1-2-18-13-23-24(33-17-32-23)15-21(18)29-11-9-28(10-12-29)16-20(30)7-8-27-26(31)25-14-19-5-3-4-6-22(19)34-25/h3-6,13-15,20,30H,2,7-12,16-17H2,1H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
24n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530574
PNG
(CHEMBL4464971 | US11337971, Compound 113a)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H32ClN3O5/c1-3-17-12-20(26)24(32-2)21(13-17)29-10-8-28(9-11-29)15-19(30)6-7-27-25(31)18-4-5-22-23(14-18)34-16-33-22/h4-5,12-14,19,30H,3,6-11,15-16H2,1-2H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530574
PNG
(CHEMBL4464971 | US11337971, Compound 113a)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(O)CCNC(=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H32ClN3O5/c1-3-17-12-20(26)24(32-2)21(13-17)29-10-8-28(9-11-29)15-19(30)6-7-27-25(31)18-4-5-22-23(14-18)34-16-33-22/h4-5,12-14,19,30H,3,6-11,15-16H2,1-2H3,(H,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530568
PNG
(CHEMBL4534566 | US11337971, Compound C4a)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
28n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530568
PNG
(CHEMBL4534566 | US11337971, Compound C4a)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
28n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530571
PNG
(CHEMBL4527078 | US11337971, Compound (S)-C4a)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@@H](F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530571
PNG
(CHEMBL4527078 | US11337971, Compound (S)-C4a)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@@H](F)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
Show InChI InChI=1S/C26H32ClFN4O2/c1-3-18-14-21(27)25(34-2)24(15-18)32-12-10-31(11-13-32)17-20(28)8-9-29-26(33)23-16-19-6-4-5-7-22(19)30-23/h4-7,14-16,20,30H,3,8-13,17H2,1-2H3,(H,29,33)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530566
PNG
(CHEMBL4570554 | US11337971, Compound (S)-29)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
38n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530566
PNG
(CHEMBL4570554 | US11337971, Compound (S)-29)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(C[C@@H](O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 |r|
Show InChI InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
38n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50530563
PNG
(CHEMBL4519938 | US11337971, Compound (R)-19)
Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I] DOI from 5HT2C receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50530563
PNG
(CHEMBL4519938 | US11337971, Compound (R)-19)
Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I] DOI from 5HT2C receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530563
PNG
(CHEMBL4519938 | US11337971, Compound (R)-19)
Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
76n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530563
PNG
(CHEMBL4519938 | US11337971, Compound (R)-19)
Show SMILES CCc1cccc(N2CCN(C[C@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
76n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530572
PNG
(CHEMBL4584497 | US11337971, Compound (R)-C5a)
Show SMILES CCc1cccc(N2CCN(C[C@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530572
PNG
(CHEMBL4584497 | US11337971, Compound (R)-C5a)
Show SMILES CCc1cccc(N2CCN(C[C@H](F)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H30ClFN4O/c1-2-18-7-5-9-23(24(18)26)31-14-12-30(13-15-31)17-20(27)10-11-28-25(32)22-16-19-6-3-4-8-21(19)29-22/h3-9,16,20,29H,2,10-15,17H2,1H3,(H,28,32)/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530560
PNG
(CHEMBL4546210 | US11337971, Compound C4b)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C26H31ClFN3O3/c1-3-18-14-21(27)25(33-2)22(15-18)31-12-10-30(11-13-31)17-20(28)8-9-29-26(32)24-16-19-6-4-5-7-23(19)34-24/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50530560
PNG
(CHEMBL4546210 | US11337971, Compound C4b)
Show SMILES CCc1cc(Cl)c(OC)c(c1)N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C26H31ClFN3O3/c1-3-18-14-21(27)25(33-2)22(15-18)31-12-10-30(11-13-31)17-20(28)8-9-29-26(32)24-16-19-6-4-5-7-23(19)34-24/h4-7,14-16,20H,3,8-13,17H2,1-2H3,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting meth...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
117n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50530565
PNG
(CHEMBL4553059 | US11337971, Compound C5b)
Show SMILES CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl
Show InChI InChI=1S/C25H29ClFN3O2/c1-2-18-7-5-8-21(24(18)26)30-14-12-29(13-15-30)17-20(27)10-11-28-25(31)23-16-19-6-3-4-9-22(19)32-23/h3-9,16,20H,2,10-15,17H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
117n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50530564
PNG
(CHEMBL4483569 | US11337971, Compound (S)-19)
Show SMILES CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
131n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50530564
PNG
(CHEMBL4483569 | US11337971, Compound (S)-19)
Show SMILES CCc1cccc(N2CCN(C[C@@H](O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl |r|
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
131n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor (unknown origin)


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530577
PNG
(CHEMBL4451683 | US11337971, Compound (+-)-19)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
132n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530577
PNG
(CHEMBL4451683 | US11337971, Compound (+-)-19)
Show SMILES CCc1cccc(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C25H31ClN4O2/c1-2-18-7-5-9-23(24(18)26)30-14-12-29(13-15-30)17-20(31)10-11-27-25(32)22-16-19-6-3-4-8-21(19)28-22/h3-9,16,20,28,31H,2,10-15,17H2,1H3,(H,27,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
132n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cell membranes measured after 60 mins by scintillation counting met...


J Med Chem 62: 9061-9077 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00607
BindingDB Entry DOI: 10.7270/Q2TF01S8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 158 total )  |  Next  |  Last  >>
Jump to: