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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50036851   
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))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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1.40n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092169
PNG
(CHEMBL118636 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-1...)
Show SMILES CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3S/c1-3-7-19(8-4-2)12-9-11-5-6-14-15(13(11)10-12)20-16(17)18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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11n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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27n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]NPA as radioligan...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092170
PNG
(CHEMBL116372 | N*8*,N*8*-Dipropyl-8,9-dihydro-7H-c...)
Show SMILES CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
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47n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]-0437 as radiolig...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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272n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092169
PNG
(CHEMBL118636 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-1...)
Show SMILES CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3S/c1-3-7-19(8-4-2)12-9-11-5-6-14-15(13(11)10-12)20-16(17)18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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500n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]NPA as radioligan...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092170
PNG
(CHEMBL116372 | N*8*,N*8*-Dipropyl-8,9-dihydro-7H-c...)
Show SMILES CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
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510n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092172
PNG
(CHEMBL332677 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-c...)
Show SMILES CCCN(CCC)C1COc2c(C1)ccc1sc(N)nc21
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)12-9-11-5-6-13-14(15(11)20-10-12)18-16(17)21-13/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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536n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]-0437 as radiolig...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092171
PNG
(CHEMBL118637 | N*6*-Propyl-6,7-dihydro-5H-1-thia-3...)
Show SMILES CCCNC1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C13H17N3S/c1-2-3-15-10-4-8-6-11-12(7-9(8)5-10)17-13(14)16-11/h6-7,10,15H,2-5H2,1H3,(H2,14,16)
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1.35E+3n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]NPA as radioligan...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092172
PNG
(CHEMBL332677 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-c...)
Show SMILES CCCN(CCC)C1COc2c(C1)ccc1sc(N)nc21
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)12-9-11-5-6-13-14(15(11)20-10-12)18-16(17)21-13/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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1.40E+3n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092171
PNG
(CHEMBL118637 | N*6*-Propyl-6,7-dihydro-5H-1-thia-3...)
Show SMILES CCCNC1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C13H17N3S/c1-2-3-15-10-4-8-6-11-12(7-9(8)5-10)17-13(14)16-11/h6-7,10,15H,2-5H2,1H3,(H2,14,16)
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>3.33E+3n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092172
PNG
(CHEMBL332677 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-c...)
Show SMILES CCCN(CCC)C1COc2c(C1)ccc1sc(N)nc21
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)12-9-11-5-6-13-14(15(11)20-10-12)18-16(17)21-13/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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3.51E+3n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radi...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092170
PNG
(CHEMBL116372 | N*8*,N*8*-Dipropyl-8,9-dihydro-7H-c...)
Show SMILES CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
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5.92E+3n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radi...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092171
PNG
(CHEMBL118637 | N*6*-Propyl-6,7-dihydro-5H-1-thia-3...)
Show SMILES CCCNC1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C13H17N3S/c1-2-3-15-10-4-8-6-11-12(7-9(8)5-10)17-13(14)16-11/h6-7,10,15H,2-5H2,1H3,(H2,14,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092169
PNG
(CHEMBL118636 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-1...)
Show SMILES CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3S/c1-3-7-19(8-4-2)12-9-11-5-6-14-15(13(11)10-12)20-16(17)18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D3 by mitogenesis assay (intrin...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50092169
PNG
(CHEMBL118636 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-1...)
Show SMILES CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3S/c1-3-7-19(8-4-2)12-9-11-5-6-14-15(13(11)10-12)20-16(17)18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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n/an/an/an/a 19n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay (intri...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50092170
PNG
(CHEMBL116372 | N*8*,N*8*-Dipropyl-8,9-dihydro-7H-c...)
Show SMILES CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D3 by mitogenesis assay


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay (intri...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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n/an/an/an/a 5.70n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay (intri...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50092170
PNG
(CHEMBL116372 | N*8*,N*8*-Dipropyl-8,9-dihydro-7H-c...)
Show SMILES CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
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n/an/an/an/a 148n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50092169
PNG
(CHEMBL118636 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-1...)
Show SMILES CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3S/c1-3-7-19(8-4-2)12-9-11-5-6-14-15(13(11)10-12)20-16(17)18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D3 by mitogenesis assay (intrin...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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antibodypedia
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n/an/an/an/a 1.70n/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D3 by mitogenesis assay (intrin...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair