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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'downing' and Initial = 'd'   
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
Caspase-1


(Homo sapiens (Human))
BDBM50325237
PNG
((5S,8S,11S)-11-(2-(3,3-diphenylpropanoyloxy)acetyl...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)CC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H41N3O9/c1-23(2)33(39-36(46)48-21-25-13-7-4-8-14-25)35(45)37-24(3)34(44)38-29(20-31(41)42)30(40)22-47-32(43)19-28(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24,28-29,33H,19-22H2,1-3H3,(H,37,45)(H,38,44)(H,39,46)(H,41,42)/t24-,29-,33-/m0/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ICE


Bioorg Med Chem Lett 20: 5089-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50325241
PNG
(CHEMBL1223114)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CON1[C@H]2CCCC[C@H]2CC1=O |r|
Show InChI InChI=1S/C29H40N4O9/c1-17(2)26(32-29(40)41-15-19-9-5-4-6-10-19)28(39)30-18(3)27(38)31-21(14-25(36)37)23(34)16-42-33-22-12-8-7-11-20(22)13-24(33)35/h4-6,9-10,17-18,20-22,26H,7-8,11-16H2,1-3H3,(H,30,39)(H,31,38)(H,32,40)(H,36,37)/t18-,20-,21-,22-,26-/m0/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ICE


Bioorg Med Chem Lett 20: 5089-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1
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
Caspase-1


(Homo sapiens (Human))
BDBM50325240
PNG
(CHEMBL1223113)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COn1c(O)cc2ccccc12 |r|
Show InChI InChI=1S/C29H34N4O9/c1-17(2)26(32-29(40)41-15-19-9-5-4-6-10-19)28(39)30-18(3)27(38)31-21(14-25(36)37)23(34)16-42-33-22-12-8-7-11-20(22)13-24(33)35/h4-13,17-18,21,26,35H,14-16H2,1-3H3,(H,30,39)(H,31,38)(H,32,40)(H,36,37)/t18-,21-,26-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ICE


Bioorg Med Chem Lett 20: 5089-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50325238
PNG
((5S,8S,11S)-11-(2-(2-benzyl-3-phenylpropanoyloxy)a...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C37H43N3O9/c1-24(2)33(40-37(47)49-22-28-17-11-6-12-18-28)35(45)38-25(3)34(44)39-30(21-32(42)43)31(41)23-48-36(46)29(19-26-13-7-4-8-14-26)20-27-15-9-5-10-16-27/h4-18,24-25,29-30,33H,19-23H2,1-3H3,(H,38,45)(H,39,44)(H,40,47)(H,42,43)/t25-,30-,33-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ICE


Bioorg Med Chem Lett 20: 5089-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1
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))
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
Caspase-1


(Homo sapiens (Human))
BDBM50325236
PNG
((5S,8S,11S)-5-isopropyl-8-methyl-11-(2-(2-(naphtha...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C33H37N3O9/c1-20(2)30(36-33(43)45-18-22-10-5-4-6-11-22)32(42)34-21(3)31(41)35-26(17-28(38)39)27(37)19-44-29(40)16-24-14-9-13-23-12-7-8-15-25(23)24/h4-15,20-21,26,30H,16-19H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)(H,38,39)/t21-,26-,30-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ICE


Bioorg Med Chem Lett 20: 5089-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285652
PNG
((3-{4-[1-((E)-4-{2-[4-(3-Dipropylamino-propoxy)-ph...)
Show SMILES CCCN(CCC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN(CCC)CCC)cc1
Show InChI InChI=1S/C48H62N6O2/c1-5-29-51(30-6-2)33-15-37-55-41-25-21-39(22-26-41)47-49-43-17-9-11-19-45(43)53(47)35-13-14-36-54-46-20-12-10-18-44(46)50-48(54)40-23-27-42(28-24-40)56-38-16-34-52(31-7-3)32-8-4/h9-14,17-28H,5-8,15-16,29-38H2,1-4H3/b14-13+
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
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
Caspase-1


(Homo sapiens (Human))
BDBM50325239
PNG
(CHEMBL1223112)
Show SMILES COC(=O)C[C@H]1CCC[C@H]2CC(=O)N(OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)[C@@H]12 |r|
Show InChI InChI=1S/C32H44N4O11/c1-18(2)28(35-32(44)46-16-20-9-6-5-7-10-20)31(43)33-19(3)30(42)34-23(15-26(39)40)24(37)17-47-36-25(38)13-21-11-8-12-22(29(21)36)14-27(41)45-4/h5-7,9-10,18-19,21-23,28-29H,8,11-17H2,1-4H3,(H,33,43)(H,34,42)(H,35,44)(H,39,40)/t19-,21-,22+,23-,28-,29+/m0/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ICE


Bioorg Med Chem Lett 20: 5089-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285654
PNG
(CHEMBL87716 | Dibutyl-(3-{4-[1-((E)-4-{2-[4-(3-dib...)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN(CCCC)CCCC)cc1
Show InChI InChI=1S/C52H70N6O2/c1-5-9-33-55(34-10-6-2)37-19-41-59-45-29-25-43(26-30-45)51-53-47-21-13-15-23-49(47)57(51)39-17-18-40-58-50-24-16-14-22-48(50)54-52(58)44-27-31-46(32-28-44)60-42-20-38-56(35-11-7-3)36-12-8-4/h13-18,21-32H,5-12,19-20,33-42H2,1-4H3/b18-17+
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285656
PNG
(CHEMBL314663 | Dimeric 2-[4-(3-Aminopropoxy) pheny...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCCC2)cc1)CN1CCCC1
Show InChI InChI=1S/C44H50N6O2/c1-3-15-41-39(13-1)45-43(35-17-21-37(22-18-35)51-33-11-29-47-25-5-6-26-47)49(41)31-9-10-32-50-42-16-4-2-14-40(42)46-44(50)36-19-23-38(24-20-36)52-34-12-30-48-27-7-8-28-48/h1-4,9-10,13-24H,5-8,11-12,25-34H2/b10-9+
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285649
PNG
(CHEMBL86129 | Dimeric 2-[4-(3-Aminopropoxy) phenyl...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C46H54N6O2/c1-7-27-49(28-8-1)31-13-35-53-39-23-19-37(20-24-39)45-47-41-15-3-5-17-43(41)51(45)33-11-12-34-52-44-18-6-4-16-42(44)48-46(52)38-21-25-40(26-22-38)54-36-14-32-50-29-9-2-10-30-50/h3-6,11-12,15-26H,1-2,7-10,13-14,27-36H2/b12-11+
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
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
Caspase-1


(Homo sapiens (Human))
BDBM12197
PNG
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r|
Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1
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11n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ICE


Bioorg Med Chem Lett 20: 5089-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.031
BindingDB Entry DOI: 10.7270/Q2SQ90K1
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285650
PNG
(CHEMBL86249 | Diethyl-[3-(4-{1-[(E)-4-(2-{4-[3-(4-...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1
Show InChI InChI=1S/C50H57N7O2/c1-3-53(4-2)30-14-38-58-43-26-22-40(23-27-43)49-51-45-18-8-10-20-47(45)56(49)32-12-13-33-57-48-21-11-9-19-46(48)52-50(57)41-24-28-44(29-25-41)59-39-15-31-54-34-36-55(37-35-54)42-16-6-5-7-17-42/h5-13,16-29H,3-4,14-15,30-39H2,1-2H3/b13-12+
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285657
PNG
(CHEMBL315560 | Diethyl-{3-[4-(1-{(E)-4-[2-(4-metho...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C38H41N5O2/c1-4-41(5-2)25-12-28-45-32-23-19-30(20-24-32)38-40-34-14-7-9-16-36(34)43(38)27-11-10-26-42-35-15-8-6-13-33(35)39-37(42)29-17-21-31(44-3)22-18-29/h6-11,13-24H,4-5,12,25-28H2,1-3H3/b11-10+
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285644
PNG
((3-{4-[1-(4-{2-[4-(3-Diethylamino-propoxy)-phenyl]...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1CCCCn1c(nc2ccccc12)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C44H56N6O2/c1-5-47(6-2)29-15-33-51-37-25-21-35(22-26-37)43-45-39-17-9-11-19-41(39)49(43)31-13-14-32-50-42-20-12-10-18-40(42)46-44(50)36-23-27-38(28-24-36)52-34-16-30-48(7-3)8-4/h9-12,17-28H,5-8,13-16,29-34H2,1-4H3
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285655
PNG
((3-{4-[1-((E)-4-{2-[4-(3-Diethylamino-propoxy)-phe...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C44H54N6O2/c1-5-47(6-2)29-15-33-51-37-25-21-35(22-26-37)43-45-39-17-9-11-19-41(39)49(43)31-13-14-32-50-42-20-12-10-18-40(42)46-44(50)36-23-27-38(28-24-36)52-34-16-30-48(7-3)8-4/h9-14,17-28H,5-8,15-16,29-34H2,1-4H3/b14-13+
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285648
PNG
((3-{4-[1-((E)-4-{2-[4-(3-Cyclohexyl-propoxy)-pheny...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCC2CCCCC2)cc1
Show InChI InChI=1S/C46H55N5O2/c1-3-49(4-2)31-15-35-53-40-29-25-38(26-30-40)46-48-42-20-9-11-22-44(42)51(46)33-13-12-32-50-43-21-10-8-19-41(43)47-45(50)37-23-27-39(28-24-37)52-34-14-18-36-16-6-5-7-17-36/h8-13,19-30,36H,3-7,14-18,31-35H2,1-2H3/b13-12+
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50287527
PNG
(6-(2-Isopropyl-benzenesulfonyl)-5-nitro-quinolin-8...)
Show SMILES CC(C)c1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O4S/c1-11(2)12-6-3-4-8-15(12)26(24,25)16-10-14(19)17-13(7-5-9-20-17)18(16)21(22)23/h3-11H,19H2,1-2H3
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligand


Bioorg Med Chem Lett 6: 1809-1814 (1996)


Article DOI: 10.1016/0960-894X(96)00319-8
BindingDB Entry DOI: 10.7270/Q2M045FM
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50285656
PNG
(CHEMBL314663 | Dimeric 2-[4-(3-Aminopropoxy) pheny...)
Show SMILES C(COc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OCCCN2CCCC2)cc1)CN1CCCC1
Show InChI InChI=1S/C44H50N6O2/c1-3-15-41-39(13-1)45-43(35-17-21-37(22-18-35)51-33-11-29-47-25-5-6-26-47)49(41)31-9-10-32-50-42-16-4-2-14-40(42)46-44(50)36-19-23-38(24-20-36)52-34-12-30-48-27-7-8-28-48/h1-4,9-10,13-24H,5-8,11-12,25-34H2/b10-9+
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56n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D2 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50287536
PNG
(6-(2-Fluoro-benzenesulfonyl)-5-nitro-quinolin-8-yl...)
Show SMILES Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C15H10FN3O4S/c16-10-5-1-2-6-12(10)24(22,23)13-8-11(17)14-9(4-3-7-18-14)15(13)19(20)21/h1-8H,17H2
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58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligand


Bioorg Med Chem Lett 6: 1809-1814 (1996)


Article DOI: 10.1016/0960-894X(96)00319-8
BindingDB Entry DOI: 10.7270/Q2M045FM
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50285642
PNG
((3-{4-[1-((E)-4-{2-[4-(3-Diethylamino-propoxy)-phe...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C/Cn1c(nc2ccccc12)-c1ccc(OCCCN(CC)CC)cc1
Show InChI InChI=1S/C44H54N6O2/c1-5-47(6-2)29-15-33-51-37-25-21-35(22-26-37)43-45-39-17-9-11-19-41(39)49(43)31-13-14-32-50-42-20-12-10-18-40(42)46-44(50)36-23-27-38(28-24-36)52-34-16-30-48(7-3)8-4/h9-14,17-28H,5-8,15-16,29-34H2,1-4H3/b14-13-
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87n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Dopamine D3 receptor in CHO cells by [3H]-spiperone displacement.


Bioorg Med Chem Lett 5: 2541-2546 (1995)


Article DOI: 10.1016/0960-894X(95)00446-Z
BindingDB Entry DOI: 10.7270/Q24J0F2N
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50287529
PNG
(6-(2-Chloro-benzenesulfonyl)-5-nitro-quinolin-8-yl...)
Show SMILES Nc1cc(c([N+]([O-])=O)c2cccnc12)S(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C15H10ClN3O4S/c16-10-5-1-2-6-12(10)24(22,23)13-8-11(17)14-9(4-3-7-18-14)15(13)19(20)21/h1-8H,17H2
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93n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligand


Bioorg Med Chem Lett 6: 1809-1814 (1996)


Article DOI: 10.1016/0960-894X(96)00319-8
BindingDB Entry DOI: 10.7270/Q2M045FM
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50287541
PNG
(5-Nitro-6-(toluene-2-sulfonyl)-quinolin-8-ylamine ...)
Show SMILES Cc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C16H13N3O4S/c1-10-5-2-3-7-13(10)24(22,23)14-9-12(17)15-11(6-4-8-18-15)16(14)19(20)21/h2-9H,17H2,1H3
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119n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligand


Bioorg Med Chem Lett 6: 1809-1814 (1996)


Article DOI: 10.1016/0960-894X(96)00319-8
BindingDB Entry DOI: 10.7270/Q2M045FM
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50287538
PNG
(6-(2-Ethyl-benzenesulfonyl)-5-nitro-quinolin-8-yla...)
Show SMILES CCc1ccccc1S(=O)(=O)c1cc(N)c2ncccc2c1[N+]([O-])=O
Show InChI InChI=1S/C17H15N3O4S/c1-2-11-6-3-4-8-14(11)25(23,24)15-10-13(18)16-12(7-5-9-19-16)17(15)20(21)22/h3-10H,2,18H2,1H3
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129n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligand


Bioorg Med Chem Lett 6: 1809-1814 (1996)


Article DOI: 10.1016/0960-894X(96)00319-8
BindingDB Entry DOI: 10.7270/Q2M045FM
More data for this
Ligand-Target Pair
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