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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P21918   
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(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ...


J Med Chem 27: 806-10 (1984)


BindingDB Entry DOI: 10.7270/Q26111HB
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ...


J Med Chem 27: 806-10 (1984)


BindingDB Entry DOI: 10.7270/Q26111HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50020221
PNG
((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Potency to displace the specific in vitro binding of [3H]-N-0437 to calf striatal membrane


J Med Chem 31: 2178-82 (1988)


BindingDB Entry DOI: 10.7270/Q22R3S82
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))
BDBM29644
PNG
((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ...


J Med Chem 27: 806-10 (1984)


BindingDB Entry DOI: 10.7270/Q26111HB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50366495
PNG
((+)butaclamol | CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ...


J Med Chem 27: 806-10 (1984)


BindingDB Entry DOI: 10.7270/Q26111HB
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))
BDBM110706
PNG
(US8614206, 139)
Show SMILES Cn1ncc(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)c1N1CC[C@@H](N)[C@H](F)CC1 |r|
Show InChI InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of dopamine receptor (unknown origin)


J Med Chem 62: 2140-2153 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01857
BindingDB Entry DOI: 10.7270/Q2Q52SVB
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50130841
PNG
(CHEMBL3634745)
Show SMILES Fc1ccc(cc1)-c1[nH]c(=O)ccc1-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H19FN2O2/c28-21-10-5-20(6-11-21)27-24(15-16-26(31)30-27)18-8-13-23(14-9-18)32-17-22-12-7-19-3-1-2-4-25(19)29-22/h1-16H,17H2,(H,30,31)
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n/an/a>1.20E+3n/an/an/an/an/an/a



Glenmark Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor (unknown origin)


J Med Chem 58: 8292-308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01240
BindingDB Entry DOI: 10.7270/Q2833TVD
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50223516
PNG
(CHEMBL283871)
Show SMILES [H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1CCCl)c23 |r|
Show InChI InChI=1S/C18H18ClNO2/c19-7-9-20-8-6-11-2-1-3-13-16(11)14(20)10-12-4-5-15(21)18(22)17(12)13/h1-5,14,21-22H,6-10H2/t14-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the competitive binding with [3H]spiperone binding to Canine striatal membranes.


J Med Chem 27: 806-10 (1984)


BindingDB Entry DOI: 10.7270/Q26111HB
More data for this
Ligand-Target Pair