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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'downing' and Initial = 'dm'   
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))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
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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0.5n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human D2L receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(3) 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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0.690n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human D3 receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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1.86n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal D2 receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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2.20n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal D2 receptor using [3H]-NPA as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal D2 receptor using [3H]-NPA as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048301
PNG
(4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
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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7.80n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human D3 receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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10.3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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16.6n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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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17n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal D2 receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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17n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human D3 receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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25.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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26n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human D2L receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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28n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human D2L receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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53n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal D2 receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048301
PNG
(4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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56.7n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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61.4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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68n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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90.9n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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91n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human Dopamine receptor D4.2 using [3H]spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048301
PNG
(4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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94n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
DOPAMINE


(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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>221n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal dopamine receptor D1 using [3H]-SCH- 23390 as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
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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467n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal dopamine receptor D1 using [3H]-SCH- 23390 as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50048301
PNG
(4-[1-((R)-3-Phenyl-cyclohex-3-enylmethyl)-1,2,3,6-...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccccc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)22-13-15-25(16-14-22)18-19-5-4-8-23(17-19)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D4.2 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal dopamine receptor D1 using [3H]-SCH- 23390 as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM18033
PNG
(Ketopiperazine-based inhibitor, 13)
Show SMILES COCCCN1C(=O)COc2ccc(SC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
Show InChI InChI=1S/C34H41N3O7S/c1-40-16-5-15-36-30-19-29(13-14-32(30)44-23-34(36)39)45-24-27-20-35-21-33(38)37(27)26-9-11-28(12-10-26)43-18-6-17-42-22-25-7-3-4-8-31(25)41-2/h3-4,7-14,19,27,35H,5-6,15-18,20-24H2,1-2H3/t27-/m1/s1
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n/an/a 0.180n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem Lett 16: 2500-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.084
BindingDB Entry DOI: 10.7270/Q26D5R7R
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17967
PNG
(CHEMBL411885 | Ketopiperazine-based compound, 16 |...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCNC(C)=O)c3c2)CNCC1=O |r|
Show InChI InChI=1S/C35H44N4O6/c1-26(40)37-16-18-38-17-5-8-27-10-13-32(21-33(27)38)45-25-30-22-36-23-35(41)39(30)29-11-14-31(15-12-29)44-20-6-19-43-24-28-7-3-4-9-34(28)42-2/h3-4,7,9-15,21,30,36H,5-6,8,16-20,22-25H2,1-2H3,(H,37,40)/t30-/m1/s1
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n/an/a 0.300n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 2657-64 (2005)


Article DOI: 10.1016/j.bmc.2005.01.048
BindingDB Entry DOI: 10.7270/Q2KP80D6
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM18025
PNG
(2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]prop...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCOC(C)=O)c3c2)CNCC1=O |r|
Show InChI InChI=1S/C35H43N3O7/c1-26(39)43-20-17-37-16-5-8-27-10-13-32(21-33(27)37)45-25-30-22-36-23-35(40)38(30)29-11-14-31(15-12-29)44-19-6-18-42-24-28-7-3-4-9-34(28)41-2/h3-4,7,9-15,21,30,36H,5-6,8,16-20,22-25H2,1-2H3/t30-/m1/s1
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n/an/a 0.420n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem Lett 16: 2500-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.084
BindingDB Entry DOI: 10.7270/Q26D5R7R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM17965
PNG
(N-[2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]p...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COc1ccc2CCCN(CCNC(C)=O)c2c1 |r|
Show InChI InChI=1S/C35H46N4O5/c1-27(40)37-17-19-38-18-5-8-28-10-13-33(23-34(28)38)44-26-31-24-36-16-20-39(31)30-11-14-32(15-12-30)43-22-6-21-42-25-29-7-3-4-9-35(29)41-2/h3-4,7,9-15,23,31,36H,5-6,8,16-22,24-26H2,1-2H3,(H,37,40)/t31-/m1/s1
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n/an/a 0.5n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 2657-64 (2005)


Article DOI: 10.1016/j.bmc.2005.01.048
BindingDB Entry DOI: 10.7270/Q2KP80D6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM18032
PNG
(Ketopiperazine-based inhibitor, 12)
Show SMILES COCCCN1C(=O)COc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
Show InChI InChI=1S/C34H41N3O8/c1-40-16-5-15-36-30-19-29(13-14-32(30)45-24-34(36)39)44-23-27-20-35-21-33(38)37(27)26-9-11-28(12-10-26)43-18-6-17-42-22-25-7-3-4-8-31(25)41-2/h3-4,7-14,19,27,35H,5-6,15-18,20-24H2,1-2H3/t27-/m1/s1
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n/an/a 0.680n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem Lett 16: 2500-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.084
BindingDB Entry DOI: 10.7270/Q26D5R7R
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM18028
PNG
((6R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phe...)
Show SMILES COCCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
Show InChI InChI=1S/C35H45N3O6/c1-40-19-6-18-37-17-5-9-27-11-14-32(22-33(27)37)44-26-30-23-36-24-35(39)38(30)29-12-15-31(16-13-29)43-21-7-20-42-25-28-8-3-4-10-34(28)41-2/h3-4,8,10-16,22,30,36H,5-7,9,17-21,23-26H2,1-2H3/t30-/m1/s1
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n/an/a 3.20n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem Lett 16: 2500-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.084
BindingDB Entry DOI: 10.7270/Q26D5R7R
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM18022
PNG
(Ketopiperazine-based inhibitor, 2)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCN(C)C(C)=O)c3c2)CNCC1=O |r|
Show InChI InChI=1S/C36H46N4O6/c1-27(41)38(2)18-19-39-17-6-9-28-11-14-33(22-34(28)39)46-26-31-23-37-24-36(42)40(31)30-12-15-32(16-13-30)45-21-7-20-44-25-29-8-4-5-10-35(29)43-3/h4-5,8,10-16,22,31,37H,6-7,9,17-21,23-26H2,1-3H3/t31-/m1/s1
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n/an/a 4n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem Lett 16: 2500-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.084
BindingDB Entry DOI: 10.7270/Q26D5R7R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM18031
PNG
(CHEMBL193816 | Ketopiperazine-based inhibitor, 11)
Show SMILES COCCCN1C(=O)CCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
Show InChI InChI=1S/C35H43N3O7/c1-41-18-5-17-37-32-21-31(13-9-26(32)10-16-34(37)39)45-25-29-22-36-23-35(40)38(29)28-11-14-30(15-12-28)44-20-6-19-43-24-27-7-3-4-8-33(27)42-2/h3-4,7-9,11-15,21,29,36H,5-6,10,16-20,22-25H2,1-2H3/t29-/m1/s1
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n/an/a 7n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem Lett 16: 2500-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.084
BindingDB Entry DOI: 10.7270/Q26D5R7R
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM18026
PNG
(2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]prop...)
Show SMILES CCC(=O)OCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
Show InChI InChI=1S/C36H45N3O7/c1-3-36(41)45-21-18-38-17-6-9-27-11-14-32(22-33(27)38)46-26-30-23-37-24-35(40)39(30)29-12-15-31(16-13-29)44-20-7-19-43-25-28-8-4-5-10-34(28)42-2/h4-5,8,10-16,22,30,37H,3,6-7,9,17-21,23-26H2,1-2H3/t30-/m1/s1
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n/an/a 9n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem Lett 16: 2500-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.084
BindingDB Entry DOI: 10.7270/Q26D5R7R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM18029
PNG
((6R)-6-({[1-(3-hydroxypropyl)-1,2,3,4-tetrahydroqu...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCCO)c3c2)CNCC1=O |r|
Show InChI InChI=1S/C34H43N3O6/c1-40-33-9-3-2-7-27(33)24-41-19-6-20-42-30-14-11-28(12-15-30)37-29(22-35-23-34(37)39)25-43-31-13-10-26-8-4-16-36(17-5-18-38)32(26)21-31/h2-3,7,9-15,21,29,35,38H,4-6,8,16-20,22-25H2,1H3/t29-/m1/s1
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n/an/a 37n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem Lett 16: 2500-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.084
BindingDB Entry DOI: 10.7270/Q26D5R7R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine D2 receptor in rat striatum.


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17966
PNG
((6R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phe...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3ccccc3c2)CNCC1=O |r|
Show InChI InChI=1S/C32H34N2O5/c1-36-31-10-5-4-9-26(31)22-37-17-6-18-38-29-15-12-27(13-16-29)34-28(20-33-21-32(34)35)23-39-30-14-11-24-7-2-3-8-25(24)19-30/h2-5,7-16,19,28,33H,6,17-18,20-23H2,1H3/t28-/m1/s1
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n/an/a 54n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 2657-64 (2005)


Article DOI: 10.1016/j.bmc.2005.01.048
BindingDB Entry DOI: 10.7270/Q2KP80D6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50037669
PNG
(1-[(R)-3-(4-Fluoro-phenyl)-cyclohex-3-enylmethyl]-...)
Show SMILES Fc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H26FN/c25-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-26-15-13-22(14-16-26)20-6-2-1-3-7-20/h1-3,6-13,19H,4-5,14-18H2/t19-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine D2 receptor in rat striatum.


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50037671
PNG
(1-[(R)-3-(4-Methoxy-phenyl)-cyclohex-3-enylmethyl]...)
Show SMILES COc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:18,t:9|
Show InChI InChI=1S/C25H29NO/c1-27-25-12-10-22(11-13-25)24-9-5-6-20(18-24)19-26-16-14-23(15-17-26)21-7-3-2-4-8-21/h2-4,7-14,20H,5-6,15-19H2,1H3/t20-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine D2 receptor in rat striatum.


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50037670
PNG
(4-Phenyl-1-(3-phenyl-cyclohex-3-enylmethyl)-1,2,3,...)
Show SMILES C(C1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2
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n/an/a 112n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine D2 receptor in rat striatum.


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50453436
PNG
(CHEMBL2111778)
Show SMILES C([C@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |r,c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m0/s1
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n/an/a 113n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine D2 receptor in rat striatum.


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50037674
PNG
(1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-...)
Show SMILES C(C1CCC=C(C1)c1ccccc1)N1CCN(CC1)c1ccccn1 |c:4|
Show InChI InChI=1S/C22H27N3/c1-2-8-20(9-3-1)21-10-6-7-19(17-21)18-24-13-15-25(16-14-24)22-11-4-5-12-23-22/h1-5,8-12,19H,6-7,13-18H2
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n/an/a 141n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine D2 receptor in rat striatum.


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50037668
PNG
(1-(3-Phenyl-cyclohex-3-enylmethyl)-4-thiophen-2-yl...)
Show SMILES C(C1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1cccs1 |c:4,18|
Show InChI InChI=1S/C22H25NS/c1-2-7-19(8-3-1)21-9-4-6-18(16-21)17-23-13-11-20(12-14-23)22-10-5-15-24-22/h1-3,5,7-11,15,18H,4,6,12-14,16-17H2
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n/an/a 170n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-spiperone binding to Dopamine D2 receptor in rat striatum.


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17961
PNG
((2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phe...)
Show SMILES COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C32H36N2O4/c1-35-32-10-5-4-9-27(32)23-36-19-6-20-37-30-15-12-28(13-16-30)34-18-17-33-22-29(34)24-38-31-14-11-25-7-2-3-8-26(25)21-31/h2-5,7-16,21,29,33H,6,17-20,22-24H2,1H3/t29-/m1/s1
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n/an/a 180n/an/an/an/a7.422



Pfizer



Assay Description
The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...


Bioorg Med Chem 13: 2657-64 (2005)


Article DOI: 10.1016/j.bmc.2005.01.048
BindingDB Entry DOI: 10.7270/Q2KP80D6
More data for this
Ligand-Target Pair
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