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Articleid 50034745

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (rat))		BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
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 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
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 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50281609
PNG
(1-Pyridin-2-yl-4-[2-(4-pyridin-2-yl-cyclohex-3-eny...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)C1CCC(=CC1)c1ccccn1 |c:19|
Show InChI InChI=1S/C22H28N4/c1-3-12-23-21(5-1)20-9-7-19(8-10-20)11-14-25-15-17-26(18-16-25)22-6-2-4-13-24-22/h1-6,9,12-13,19H,7-8,10-11,14-18H2
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n/an/a 128n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50279805
PNG
((S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f...)
Show SMILES CN1CCC=C2[C@@H]1CCc1sc(N)nc21 |c:4|
Show InChI InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)/t8-/m0/s1
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n/an/a 202n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
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 238n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist binding affinity was determined by displacing the [3H]-SCH- in rat striatal Dopamine receptor D1

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50281605
PNG
(1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enyl)...)
Show SMILES C1CC(=CCC1N1CCN(CC1)c1ccccn1)c1cccs1 |c:2|
Show InChI InChI=1S/C19H23N3S/c1-2-10-20-19(5-1)22-13-11-21(12-14-22)17-8-6-16(7-9-17)18-4-3-15-23-18/h1-6,10,15,17H,7-9,11-14H2
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n/an/a 352n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a 412n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a 412n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50281611
PNG
(1-Pyridin-2-yl-4-[2-(4-thiophen-2-yl-cyclohex-3-en...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)C1CCC(=CC1)c1cccs1 |c:19|
Show InChI InChI=1S/C21H27N3S/c1-2-11-22-21(5-1)24-15-13-23(14-16-24)12-10-18-6-8-19(9-7-18)20-4-3-17-25-20/h1-5,8,11,17-18H,6-7,9-10,12-16H2
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n/an/a 436n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50281606
PNG
(1-[2-((R)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m0/s1
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n/an/a 545n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50281606
PNG
(1-[2-((R)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m0/s1
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n/an/a 545n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50281610
PNG
(1-(4-Phenyl-cyclohex-3-enyl)-4-pyridin-2-yl-pipera...)
Show SMILES C1CC(=CCC1N1CCN(CC1)c1ccccn1)c1ccccc1 |c:2|
Show InChI InChI=1S/C21H25N3/c1-2-6-18(7-3-1)19-9-11-20(12-10-19)23-14-16-24(17-15-23)21-8-4-5-13-22-21/h1-9,13,20H,10-12,14-17H2
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a 704n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50281607
PNG
(1-Pyridin-2-yl-4-(4-pyridin-2-yl-cyclohex-3-enyl)-...)
Show SMILES C1CC(=CCC1N1CCN(CC1)c1ccccn1)c1ccccn1 |c:2|
Show InChI InChI=1S/C20H24N4/c1-3-11-21-19(5-1)17-7-9-18(10-8-17)23-13-15-24(16-14-23)20-6-2-4-12-22-20/h1-7,11-12,18H,8-10,13-16H2
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n/an/a 1.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50281608
PNG
(1-Pyridin-2-yl-4-(4-thiophen-2-yl-cyclohex-3-enylm...)
Show SMILES C(C1CCC(=CC1)c1cccs1)N1CCN(CC1)c1ccccn1 |c:4|
Show InChI InChI=1S/C20H25N3S/c1-2-10-21-20(5-1)23-13-11-22(12-14-23)16-17-6-8-18(9-7-17)19-4-3-15-24-19/h1-5,8,10,15,17H,6-7,9,11-14,16H2
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n/an/a 2.43E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50279805
PNG
((S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f...)
Show SMILES CN1CCC=C2[C@@H]1CCc1sc(N)nc21 |c:4|
Show InChI InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)/t8-/m0/s1
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n/an/a 2.92E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist binding affinity was determined by displacing the [3H]-SCH- in rat striatal Dopamine receptor D1

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50055724
PNG
(1-[2-((S)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m1/s1
PDB

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n/an/a>6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro agonist binding affinity was determined by displacing the [3H]N-propylnorapomorphine ([3H]NPA) in rat striatal Dopamine receptor D2

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50281606
PNG
(1-[2-((R)-4-Phenyl-cyclohex-3-enyl)-ethyl]-4-pyrid...)
Show SMILES C(CN1CCN(CC1)c1ccccn1)[C@@H]1CCC(=CC1)c1ccccc1 |c:19|
Show InChI InChI=1S/C23H29N3/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)13-15-25-16-18-26(19-17-25)23-8-4-5-14-24-23/h1-8,11,14,20H,9-10,12-13,15-19H2/t20-/m0/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist binding affinity was determined by displacing the [3H]-SCH- in rat striatal Dopamine receptor D1

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50279805
PNG
((S)-6-Methyl-4,5,5a,6,7,8-hexahydro-thiazolo[4,5-f...)
Show SMILES CN1CCC=C2[C@@H]1CCc1sc(N)nc21 |c:4|
Show InChI InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)/t8-/m0/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist binding affinity was determined by displacing the [3H]-SCH- in rat striatal Dopamine receptor D1

Bioorg Med Chem Lett 3: 639-644 (1993)


Article DOI: 10.1016/S0960-894X(01)81245-2
BindingDB Entry DOI: 10.7270/Q2222V75
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%