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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 10942   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM580149
PNG
(US11498896, Compound 137)
Show SMILES Fc1ccccc1OCCN1CCC2(CCN2c2ccc(Cl)cc2)CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580162
PNG
(US11498896, Compound 211)
Show SMILES CC(=O)NC1(C)CCN(C[C@H]2COc3ccc(Br)cc3O2)CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580132
PNG
(US11498896, Compound 86)
Show SMILES CC1(CCN(CCOc2ccccc2F)CC1)Oc1ccc(Cl)cc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580148
PNG
(US11498896, Compound 135)
Show SMILES FC(F)(F)c1ccccc1OCCN1CCC2(CCCN2c2ccc(Cl)cc2)CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580136
PNG
(US11498896, Compound 98a)
Show SMILES CC1(CCCN(CCOc2ccccc2F)C1)Oc1ccc(Cl)cc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580142
PNG
(US11498896, Compound 110)
Show SMILES CC1(CCN(CCOc2ccccc2OC(F)(F)F)CC1)Oc1ccccc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580141
PNG
(US11498896, Compound 106)
Show SMILES CC1(CCN(CCOc2ccccc2C(F)(F)F)CC1)C(=O)c1ccccc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580146
PNG
(US11498896, Compound 123)
Show SMILES COC1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580131
PNG
(US11498896, Compound 78)
Show SMILES CC1(CC2CCC(C1)N2CCOc1ccccc1C(F)(F)F)Oc1ccccc1 |TLB:9:8:4.5:1.2.7|
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580130
PNG
(US11498896, Compound 68)
Show SMILES CC1(CCN(CCOc2ccc(cc2)C(F)(F)F)CC1)Oc1ccccc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580125
PNG
(US11498896, Compound 27)
Show SMILES CC1(CCN(CCCCOc2ccccc2F)C1)Oc1ccc(Cl)cc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580161
PNG
(US11498896, Compound 210)
Show SMILES CC(=O)NC1(C)CCN(C[C@H]2COc3ccc(F)cc3O2)CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580160
PNG
(US11498896, Compound 209)
Show SMILES CC1(CCN(C[C@H]2COc3ccccc3O2)CC1)NC(=O)C1CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580159
PNG
(US11498896, Compound 208)
Show SMILES CC(=O)NC1(C)CCN(C[C@H]2COc3ccccc3O2)CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580158
PNG
(US11498896, Compound 206)
Show SMILES CC1(CCN(C[C@H]2COc3ccccc3O2)CC1)C(=O)N1CCCC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580157
PNG
(US11498896, Compound 205)
Show SMILES CN(C)C(=O)C1(C)CCN(C[C@H]2COc3ccccc3O2)CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580155
PNG
(US11498896, Compound 204b)
Show SMILES CC1(CCN(CC2COc3ccccc3O2)CC1)C(=O)Nc1ccccc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580152
PNG
(US11498896, Compound 157)
Show SMILES CC1(CCN(CCOc2ccc(F)cc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580151
PNG
(US11498896, Compound 144)
Show SMILES Clc1ccc2OC3(CCN(CCOc4ccccc4)C3)Cc2c1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580145
PNG
(US11498896, Compound 122)
Show SMILES CC1(CCN(CCOc2cc(F)ccc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580143
PNG
(US11498896, Compound 112)
Show SMILES CN(c1ccccc1)C1(C)CCN(CCOc2ccccc2C(F)(F)F)CC1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50518039
PNG
(CHEMBL4467883 | US11498896, Compound 90)
Show SMILES CC1(CCN(CCOc2ccccc2C(F)(F)F)CC1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClF3NO2/c1-20(28-17-8-6-16(22)7-9-17)10-12-26(13-11-20)14-15-27-19-5-3-2-4-18(19)21(23,24)25/h2-9H,10-15H2,1H3
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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580134
PNG
(US11498896, Compound 91)
Show SMILES CC1(CCN(CCOc2ccccc2C(F)(F)F)CC1)Oc1ccccc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580135
PNG
(US11498896, Compound 96)
Show SMILES CC1(CCCN(CCOc2ccccc2)C1)Oc1ccc(Cl)cc1
PDB

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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580137
PNG
(US11498896, Compound 99)
Show SMILES CC1(CCCN(CCOc2ccc3scnc3c2)C1)Oc1ccc(Cl)cc1
PDB

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Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580140
PNG
(US11498896, Compound 102a)
Show SMILES FC(F)(F)c1ccccc1OCCN1CCC2(CC2c2ccccc2)CC1
PDB

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Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580154
PNG
(US11498896, Compound 202b)
Show SMILES CNC(=O)C1(C)CCN(CC2COc3ccccc3O2)CC1
PDB

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5.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50518027
PNG
(CHEMBL4550815 | US11498896, Compound 1)
Show SMILES CC1(CCN(CCOc2ccccc2)C1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C19H22ClNO2/c1-19(23-18-9-7-16(20)8-10-18)11-12-21(15-19)13-14-22-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
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TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580124
PNG
(US11498896, Compound 18b)
Show SMILES CC1(CCN(CCOc2ccc3ncsc3c2)C1)Oc1ccc(Cl)cc1
PDB

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Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580147
PNG
(US11498896, Compound 125)
Show SMILES CC1(CCN(CCOc2ccc(cc2)C(F)(F)F)CC1)Oc1ccc(Cl)cc1
PDB

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Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580128
PNG
(US11498896, Compound 59 | US11498896, Compound 59b)
Show SMILES CC1(CCN(CCOc2ccccc2)C1)Oc1ccncc1
PDB

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PC cid
PC sid
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5.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580126
PNG
(US11498896, Compound 54)
Show SMILES CC1(CCN(CCOc2ccccc2)C1)Oc1ccc(cc1)C(F)(F)F
PDB

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
5.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580127
PNG
(US11498896, Compound 55)
Show SMILES CC1(CCN(CCOc2ccccc2)C1)Oc1cccc(c1)C(F)(F)F
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
5.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580150
PNG
(US11498896, Compound 140)
Show SMILES CC1(O)CCN(CC2COc3ccccc3O2)CC1
PDB

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DrugBank
antibodypedia
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PC cid
PC sid
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US Patent
2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580123
PNG
(US11498896, Compound 7)
Show SMILES CC1(CCN(CCn2ccccc2=O)C1)Oc1ccc(Cl)cc1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580128
PNG
(US11498896, Compound 59 | US11498896, Compound 59b)
Show SMILES CC1(CCN(CCOc2ccccc2)C1)Oc1ccncc1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM580153
PNG
(US11498896, Compound 164)
Show SMILES CC1(CCN(CCOc2ccc(cc2)C(F)(F)F)CC1)Oc1ccccn1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
The D2 binding Ki values were determined using a radioligand binding assay.


Citation and Details

BindingDB Entry DOI: 10.7270/Q28919P8
More data for this
Ligand-Target Pair