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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'ladislaw' and Initial = 'c'   
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))
BDBM50366495
PNG
(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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0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) 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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3.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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72n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50366495
PNG
(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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185n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
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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250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50291683
PNG
(1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3
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350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50291681
PNG
(2,3-Dihydro-1H-indol-5-ol | CHEMBL19331)
Show SMILES Oc1ccc2NCCc2c1
Show InChI InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
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500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50450614
PNG
(CHEMBL2303762)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc34)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H27NO8/c24-10-18-19(27)20(28)21(29)22(31-18)30-13-3-1-11(2-4-13)7-15-14-9-17(26)16(25)8-12(14)5-6-23-15/h1-4,8-9,15,18-29H,5-7,10H2/t15?,18-,19+,20-,21-,22+/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291683
PNG
(1-(3,4-Dihydroxy-benzyl)-2-methyl-1,2,3,4-tetrahyd...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50027331
PNG
(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50242856
PNG
((1R)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquin...)
Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1 |r|
Show InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50027331
PNG
(1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquino...)
Show SMILES Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O
Show InChI InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2
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3.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50242856
PNG
((1R)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquin...)
Show SMILES Oc1ccc(C[C@H]2NCCc3cc(O)c(O)cc23)cc1 |r|
Show InChI InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291684
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...)
Show SMILES CC1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3
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5.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50291684
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...)
Show SMILES CC1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3
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6.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291681
PNG
(2,3-Dihydro-1H-indol-5-ol | CHEMBL19331)
Show SMILES Oc1ccc2NCCc2c1
Show InChI InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
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9.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50450614
PNG
(CHEMBL2303762)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc34)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H27NO8/c24-10-18-19(27)20(28)21(29)22(31-18)30-13-3-1-11(2-4-13)7-15-14-9-17(26)16(25)8-12(14)5-6-23-15/h1-4,8-9,15,18-29H,5-7,10H2/t15?,18-,19+,20-,21-,22+/m1/s1
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1.14E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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>1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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>3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291681
PNG
(2,3-Dihydro-1H-indol-5-ol | CHEMBL19331)
Show SMILES Oc1ccc2NCCc2c1
Show InChI InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
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n/an/a 1.03E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [3H]spiperone to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50450614
PNG
(CHEMBL2303762)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc34)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H27NO8/c24-10-18-19(27)20(28)21(29)22(31-18)30-13-3-1-11(2-4-13)7-15-14-9-17(26)16(25)8-12(14)5-6-23-15/h1-4,8-9,15,18-29H,5-7,10H2/t15?,18-,19+,20-,21-,22+/m1/s1
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UniChem
Article
n/an/a 2.42E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [3H]spiperone to human D2 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50291681
PNG
(2,3-Dihydro-1H-indol-5-ol | CHEMBL19331)
Show SMILES Oc1ccc2NCCc2c1
Show InChI InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
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n/an/a 3.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [3H]spiperone to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50450614
PNG
(CHEMBL2303762)
Show SMILES OC[C@H]1O[C@H](Oc2ccc(CC3NCCc4cc(O)c(O)cc34)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H27NO8/c24-10-18-19(27)20(28)21(29)22(31-18)30-13-3-1-11(2-4-13)7-15-14-9-17(26)16(25)8-12(14)5-6-23-15/h1-4,8-9,15,18-29H,5-7,10H2/t15?,18-,19+,20-,21-,22+/m1/s1
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Article
n/an/a 4.75E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against binding of [3H]spiperone to human D4 dopaminergic receptor


Bioorg Med Chem Lett 7: 1207-1212 (1997)


Article DOI: 10.1016/S0960-894X(97)00194-7
BindingDB Entry DOI: 10.7270/Q2CJ8F0Z
More data for this
Ligand-Target Pair