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PubMed code 3027338

Compile data set for download or QSAR
Found 20 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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50000871
PNG
(CHEMBL69139 | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:19|
Show InChI InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50000334
PNG
(6,7-Dichloro-1,5-dihydro-imidazo[2,1-b]quinazolin-...)
Show SMILES Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl |t:5|
Show InChI InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50027177
PNG
(Cilostamide)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc(O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226543
PNG
(CHEMBL420838)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2NC(=O)SCc2c1
Show InChI InChI=1S/C19H26N2O3S/c1-21(15-6-3-2-4-7-15)18(22)8-5-11-24-16-9-10-17-14(12-16)13-25-19(23)20-17/h9-10,12,15H,2-8,11,13H2,1H3,(H,20,23)
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n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226555
PNG
(CHEMBL67513)
Show SMILES CCCCCCOc1ccc2N=C3NC(=O)CN3Cc2c1 |t:11|
Show InChI InChI=1S/C16H21N3O2/c1-2-3-4-5-8-21-13-6-7-14-12(9-13)10-19-11-15(20)18-16(19)17-14/h6-7,9H,2-5,8,10-11H2,1H3,(H,17,18,20)
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226544
PNG
(CHEMBL102920)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2NC(=O)OCc2c1
Show InChI InChI=1S/C19H26N2O4/c1-21(15-6-3-2-4-7-15)18(22)8-5-11-24-16-9-10-17-14(12-16)13-25-19(23)20-17/h9-10,12,15H,2-8,11,13H2,1H3,(H,20,23)
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n/an/a 1.15E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226556
PNG
(CHEMBL105666)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)[nH]c(=O)c2c1
Show InChI InChI=1S/C19H25N3O4/c1-22(13-6-3-2-4-7-13)17(23)8-5-11-26-14-9-10-16-15(12-14)18(24)21-19(25)20-16/h9-10,12-13H,2-8,11H2,1H3,(H2,20,21,24,25)
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n/an/a 1.15E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226554
PNG
(CHEMBL103495)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2NC(=O)NCc2c1
Show InChI InChI=1S/C19H27N3O3/c1-22(15-6-3-2-4-7-15)18(23)8-5-11-25-16-9-10-17-14(12-16)13-20-19(24)21-17/h9-10,12,15H,2-8,11,13H2,1H3,(H2,20,21,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226548
PNG
(CHEMBL102273)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C20H28N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h10-11,14,16H,2-9,12-13H2,1H3,(H,21,23)
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n/an/a 1.35E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226542
PNG
(CHEMBL65882)
Show SMILES COc1ccc2N=C3NC(=O)CN3Cc2c1 |t:6|
Show InChI InChI=1S/C11H11N3O2/c1-16-8-2-3-9-7(4-8)5-14-6-10(15)13-11(14)12-9/h2-4H,5-6H2,1H3,(H,12,13,15)
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226553
PNG
(CHEMBL316542)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2NC(=O)CSc2c1
Show InChI InChI=1S/C19H26N2O3S/c1-21(14-6-3-2-4-7-14)19(23)8-5-11-24-15-9-10-16-17(12-15)25-13-18(22)20-16/h9-10,12,14H,2-8,11,13H2,1H3,(H,20,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226549
PNG
(CHEMBL102657)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2NC(=O)COc2c1
Show InChI InChI=1S/C19H26N2O4/c1-21(14-6-3-2-4-7-14)19(23)8-5-11-24-15-9-10-16-17(12-15)25-13-18(22)20-16/h9-10,12,14H,2-8,11,13H2,1H3,(H,20,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226546
PNG
(CHEMBL101969)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2NC(=O)CNC(=O)c2c1
Show InChI InChI=1S/C20H27N3O4/c1-23(14-6-3-2-4-7-14)19(25)8-5-11-27-15-9-10-17-16(12-15)20(26)21-13-18(24)22-17/h9-10,12,14H,2-8,11,13H2,1H3,(H,21,26)(H,22,24)
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n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226557
PNG
(CHEMBL102852)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)oc(=O)c2c1
Show InChI InChI=1S/C19H24N2O5/c1-21(13-6-3-2-4-7-13)17(22)8-5-11-25-14-9-10-16-15(12-14)18(23)26-19(24)20-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)
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n/an/a 4.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226547
PNG
(CHEMBL103863)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2nc(O)sc2c1
Show InChI InChI=1S/C18H24N2O3S/c1-20(13-6-3-2-4-7-13)17(21)8-5-11-23-14-9-10-15-16(12-14)24-18(22)19-15/h9-10,12-13H,2-8,11H2,1H3,(H,19,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226541
PNG
(CHEMBL316590)
Show SMILES COc1ccc2sc(=O)ncc2c1
Show InChI InChI=1S/C9H7NO2S/c1-12-7-2-3-8-6(4-7)5-10-9(11)13-8/h2-5H,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226552
PNG
(CHEMBL103878)
Show SMILES COc1ccc2nc(O)sc2c1
Show InChI InChI=1S/C8H7NO2S/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
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n/an/a 2.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226545
PNG
(CHEMBL101963)
Show SMILES COc1ccc2NC(=O)NCc2c1
Show InChI InChI=1S/C9H10N2O2/c1-13-7-2-3-8-6(4-7)5-10-9(12)11-8/h2-4H,5H2,1H3,(H2,10,11,12)
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n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226551
PNG
(CHEMBL100112)
Show SMILES COc1ccc2NC(=O)CC(=O)c2c1
Show InChI InChI=1S/C10H9NO3/c1-14-6-2-3-8-7(4-6)9(12)5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13)
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n/an/a 5.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))		BDBM50226550
PNG
(CHEMBL103557)
Show SMILES COc1ccc2oc(=O)ncc2c1
Show InChI InChI=1S/C9H7NO3/c1-12-7-2-3-8-6(4-7)5-10-9(11)13-8/h2-5H,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor

J Med Chem 30: 295-303 (1987)


BindingDB Entry DOI: 10.7270/Q2C24ZNB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%