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Compile Data Set for Download or QSAR

Found 147 hits of kd for UniProtKB: A0A024R3C5   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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Article
PubMed
n/an/an/a 0.0930n/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016786
PNG
((R)-2-Fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cc(F)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H16FNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1
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n/an/an/a 94n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as low affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016785
PNG
((R)-2-Amino-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...)
Show SMILES CN1CCc2cc(N)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H18N2O2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7,18H2,1H3/t13-/m1/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
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
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/an/a 127n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as low affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010696
PNG
((R)-2-Bromo-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...)
Show SMILES CN1CCc2cc(Br)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H16BrNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1
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n/an/an/a 6.80n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010696
PNG
((R)-2-Bromo-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...)
Show SMILES CN1CCc2cc(Br)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H16BrNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1
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n/an/an/a 728n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as low affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016786
PNG
((R)-2-Fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CN1CCc2cc(F)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H16FNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1
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n/an/an/a 0.430n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at dopamine receptor in porcine anterior pituitary gland as high affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
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
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/an/a 0.660n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010698
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO3/c1-18-5-4-10-6-11(19)8-12-15(10)13(18)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,19-21H,4-5,7H2,1H3/t13-/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016785
PNG
((R)-2-Amino-6-methyl-5,6,6a,7-tetrahydro-4H-dibenz...)
Show SMILES CN1CCc2cc(N)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H18N2O2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7,18H2,1H3/t13-/m1/s1
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n/an/an/a 20n/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state


J Med Chem 32: 1198-201 (1989)


Article DOI: 10.1021/jm00126a009
BindingDB Entry DOI: 10.7270/Q2Q23Z7P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
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n/an/an/a 7.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083510
PNG
(CHEMBL3423411)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
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n/an/an/a 400n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083540
PNG
(CHEMBL3423410)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36+/m0/s1
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n/an/an/a 200n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083544
PNG
(CHEMBL3423409)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C43H61FN8O5/c1-2-3-12-35(42(56)51-36(26-28-16-19-30(44)20-17-28)43(57)50-34(40(46)54)14-8-9-23-45)48-38(53)15-5-4-10-24-47-41(55)29-18-21-37-39-32(22-25-52(37)27-29)31-11-6-7-13-33(31)49-39/h6-7,11,13,16-17,19-20,29,34-37,49H,2-5,8-10,12,14-15,18,21-27,45H2,1H3,(H2,46,54)(H,47,55)(H,48,53)(H,50,57)(H,51,56)/t29-,34-,35-,36-,37+/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083546
PNG
(CHEMBL3423408)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1S/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/m0/s1
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n/an/an/a 500n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083550
PNG
(CHEMBL3423407)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/m0/s1
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n/an/an/a 190n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083551
PNG
(CHEMBL3423406)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/m0/s1
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n/an/an/a 900n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083554
PNG
(CHEMBL3423405)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1S/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/m0/s1
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n/an/an/a 600n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083555
PNG
(CHEMBL3423404)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C37H51N7O5/c1-2-3-9-30(42-35(47)24-14-17-32-33-27(18-20-44(32)22-24)26-8-4-5-10-28(26)40-33)36(48)43-31(21-23-12-15-25(45)16-13-23)37(49)41-29(34(39)46)11-6-7-19-38/h4-5,8,10,12-13,15-16,24,29-32,40,45H,2-3,6-7,9,11,14,17-22,38H2,1H3,(H2,39,46)(H,41,49)(H,42,47)(H,43,48)/t24-,29-,30-,31-,32+/m0/s1
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n/an/an/a 4.70E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083558
PNG
(CHEMBL3423403)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/m0/s1
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n/an/an/a 280n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083509
PNG
(CHEMBL3423402)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
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n/an/an/a 240n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083559
PNG
(CHEMBL3423401)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C43H62N8O6/c1-2-3-12-35(42(56)50-36(26-28-16-19-30(52)20-17-28)43(57)49-34(40(45)54)14-8-9-23-44)47-38(53)15-5-4-10-24-46-41(55)29-18-21-37-39-32(22-25-51(37)27-29)31-11-6-7-13-33(31)48-39/h6-7,11,13,16-17,19-20,29,34-37,48,52H,2-5,8-10,12,14-15,18,21-27,44H2,1H3,(H2,45,54)(H,46,55)(H,47,53)(H,49,57)(H,50,56)/t29-,34-,35-,36-,37-/m0/s1
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n/an/an/a 6.30E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083560
PNG
(CHEMBL3423400)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1S/C36H46FN7O4/c1-2-3-7-28(41-34(46)22-11-14-30-32-26(15-16-43(30)19-22)25-6-4-5-8-27(25)40-32)35(47)42-29(17-21-9-12-23(37)13-10-21)36(48)44-20-24(38)18-31(44)33(39)45/h4-6,8-10,12-13,22,24,28-31,40H,2-3,7,11,14-20,38H2,1H3,(H2,39,45)(H,41,46)(H,42,47)/t22-,24-,28-,29-,30-,31-/m0/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as high affinity constant af...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083558
PNG
(CHEMBL3423403)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36-/m0/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083554
PNG
(CHEMBL3423405)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1S/C44H59N9O5/c1-2-3-13-35(43(57)51-36(22-28-24-48-33-14-8-6-11-30(28)33)44(58)53-26-29(45)23-38(53)41(46)55)49-39(54)16-5-4-10-20-47-42(56)27-17-18-37-40-32(19-21-52(37)25-27)31-12-7-9-15-34(31)50-40/h6-9,11-12,14-15,24,27,29,35-38,48,50H,2-5,10,13,16-23,25-26,45H2,1H3,(H2,46,55)(H,47,56)(H,49,54)(H,51,57)/t27-,29-,35-,36-,37+,38-/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083551
PNG
(CHEMBL3423406)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C39H52N8O4/c1-2-3-12-32(45-37(49)24-16-17-34-35-28(18-20-47(34)23-24)27-11-5-7-14-30(27)43-35)38(50)46-33(21-25-22-42-29-13-6-4-10-26(25)29)39(51)44-31(36(41)48)15-8-9-19-40/h4-7,10-11,13-14,22,24,31-34,42-43H,2-3,8-9,12,15-21,23,40H2,1H3,(H2,41,48)(H,44,51)(H,45,49)(H,46,50)/t24-,31-,32-,33-,34+/m0/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083550
PNG
(CHEMBL3423407)
Show SMILES CCCC[C@H](NC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C37H49F2N7O4/c1-2-3-9-30(44-35(48)23-13-15-32-33-25(16-18-46(32)21-23)24-8-4-5-10-28(24)42-33)36(49)45-31(20-22-12-14-26(38)27(39)19-22)37(50)43-29(34(41)47)11-6-7-17-40/h4-5,8,10,12,14,19,23,29-32,42H,2-3,6-7,9,11,13,15-18,20-21,40H2,1H3,(H2,41,47)(H,43,50)(H,44,48)(H,45,49)/t23-,29-,30-,31-,32+/m0/s1
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n/an/an/a 8.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083546
PNG
(CHEMBL3423408)
Show SMILES CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](N)C[C@H]1C(N)=O
Show InChI InChI=1S/C42H57FN8O5/c1-2-3-10-33(41(55)49-34(22-26-13-16-28(43)17-14-26)42(56)51-25-29(44)23-36(51)39(45)53)47-37(52)12-5-4-8-20-46-40(54)27-15-18-35-38-31(19-21-50(35)24-27)30-9-6-7-11-32(30)48-38/h6-7,9,11,13-14,16-17,27,29,33-36,48H,2-5,8,10,12,15,18-25,44H2,1H3,(H2,45,53)(H,46,54)(H,47,52)(H,49,55)/t27-,29-,33-,34-,35+,36-/m0/s1
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n/an/an/a 1.30E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083540
PNG
(CHEMBL3423410)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
Show InChI InChI=1S/C42H56F2N8O5/c43-30-16-14-26(23-31(30)44)24-34(41(56)49-33(39(46)54)11-5-6-19-45)50-42(57)36-12-8-21-52(36)37(53)13-2-1-7-20-47-40(55)27-15-17-35-38-29(18-22-51(35)25-27)28-9-3-4-10-32(28)48-38/h3-4,9-10,14,16,23,27,33-36,48H,1-2,5-8,11-13,15,17-22,24-25,45H2,(H2,46,54)(H,47,55)(H,49,56)(H,50,57)/t27-,33-,34-,35+,36+/m0/s1
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083510
PNG
(CHEMBL3423411)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCCN1C(=O)CCCCCNC(=O)[C@@H]1CC[C@@H]2N(CCc3c2[nH]c2ccccc32)C1)C(N)=O
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n/an/an/a 1.40E+4n/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM09151-2 from dopamine D2 receptor (unknown origin) expressed in sheep striatum membranes assessed as low affinity constant aft...


Eur J Med Chem 97: 173-80 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.052
BindingDB Entry DOI: 10.7270/Q2K64KST
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214401
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C35H41FN6O4/c1-19(2)31(34(45)39-27(14-20-9-11-23(36)12-10-20)35(46)42-13-5-8-28(42)32(37)43)40-33(44)22-15-25-24-6-4-7-26-30(24)21(17-38-26)16-29(25)41(3)18-22/h4,6-7,9-12,15,17,19,22,27-29,31,38H,5,8,13-14,16,18H2,1-3H3,(H2,37,43)(H,39,45)(H,40,44)/t22-,27+,28+,29-,31+/m1/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214403
PNG
((6aR,9R)-N-((S)-1-((S)-1-(3-carbamoylpiperidin-1-y...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C40H42FN7O6/c1-46-21-27(18-31-30-5-2-6-32-36(30)26(20-43-32)19-35(31)46)38(50)44-33(16-24-9-13-29(14-10-24)48(53)54)39(51)45-34(17-23-7-11-28(41)12-8-23)40(52)47-15-3-4-25(22-47)37(42)49/h2,5-14,18,20,25,27,33-35,43H,3-4,15-17,19,21-22H2,1H3,(H2,42,49)(H,44,50)(H,45,51)/t25?,27-,33+,34+,35-/m1/s1
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n/an/an/a 20n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214406
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C41H51N7O6/c1-46-23-29(20-32-31-10-5-11-33-37(31)28(22-43-33)21-36(32)46)39(50)45-35(19-26-12-15-30(16-13-26)48(53)54)40(51)44-34(17-14-25-7-3-2-4-8-25)41(52)47-18-6-9-27(24-47)38(42)49/h5,10-13,15-16,20,22,25,27,29,34-36,43H,2-4,6-9,14,17-19,21,23-24H2,1H3,(H2,42,49)(H,44,51)(H,45,50)/t27?,29-,34+,35+,36-/m1/s1
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n/an/an/a 300n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214409
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O
Show InChI InChI=1S/C39H41N7O6/c1-21(2)35(39(50)45-31-10-5-4-7-23(31)17-33(45)36(40)47)43-38(49)30(15-22-11-13-26(14-12-22)46(51)52)42-37(48)25-16-28-27-8-6-9-29-34(27)24(19-41-29)18-32(28)44(3)20-25/h4-14,16,19,21,25,30,32-33,35,41H,15,17-18,20H2,1-3H3,(H2,40,47)(H,42,48)(H,43,49)/t25-,30+,32-,33+,35+/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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n/an/an/a 0.160n/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor in human brain caudate nucleus


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50019293
PNG
(1-(1-{3-[Bis-(4-fluoro-phenyl)-amino]-propyl}-pipe...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N4O/c28-20-6-10-22(11-7-20)32(23-12-8-21(29)9-13-23)17-3-16-31-18-14-24(15-19-31)33-26-5-2-1-4-25(26)30-27(33)34/h1-2,4-13,24H,3,14-19H2,(H,30,34)
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n/an/an/a 29n/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343785
PNG
(CHEMBL1774386 | N-(4-(4-(2,3-Dichlorophenyl)pipera...)
Show SMILES FC(CCNC(=O)c1cc2ccccc2o1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H24Cl2FN3O2/c24-18-5-3-6-19(22(18)25)29-12-10-28(11-13-29)15-17(26)8-9-27-23(30)21-14-16-4-1-2-7-20(16)31-21/h1-7,14,17H,8-13,15H2,(H,27,30)
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n/an/an/a 0.0300n/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to wild type human dopamine D2 receptor expressed in HEK293 cells


J Med Chem 54: 3581-94 (2011)


Article DOI: 10.1021/jm200288r
BindingDB Entry DOI: 10.7270/Q25M661K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004813
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phe...)
Show SMILES CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
Show InChI InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
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n/an/an/a 0.0970n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Affinity constant of compound was evaluated in human brain


J Med Chem 31: 1039-43 (1988)


Article DOI: 10.1021/jm00400a027
BindingDB Entry DOI: 10.7270/Q2C24X1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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n/an/an/a 9.50E+3n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D2A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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n/an/an/a 20n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D2A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
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
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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n/an/an/a 24n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D2A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50423465
PNG
(ERGOLINE)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m1/s1
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n/an/an/a 56n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 126n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530671
PNG
(CHEMBL4482896)
Show SMILES OC1(CCN(CCCC(=O)c2cc(F)ccc2F)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClF2NO2/c22-16-5-3-15(4-6-16)21(27)9-12-25(13-10-21)11-1-2-20(26)18-14-17(23)7-8-19(18)24/h3-8,14,27H,1-2,9-13H2
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n/an/an/a 141n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010289
PNG
((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
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n/an/an/a 4.30n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Binding affinity to SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530673
PNG
(CHEMBL4453290)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-3-1-4-18(23)20(17)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2
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n/an/an/a 2.10n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530674
PNG
(CHEMBL4579971)
Show SMILES OC1(CCN(CCCc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO/c21-18-7-5-17(6-8-18)20(24)11-14-23(15-12-20)13-1-2-16-3-9-19(22)10-4-16/h3-10,24H,1-2,11-15H2
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n/an/an/a 66n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50362868
PNG
(CHEMBL1940404)
Show SMILES OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClFNO2/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2
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n/an/an/a 0.794n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530676
PNG
(CHEMBL4528835)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC2C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23ClFNO/c23-19-7-5-17(6-8-19)22-11-13-25(15-18(22)14-22)12-1-2-21(26)16-3-9-20(24)10-4-16/h3-10,18H,1-2,11-15H2
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n/an/an/a 0.145n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50530677
PNG
(CHEMBL4568709)
Show SMILES CN(C)c1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H29FN2O2/c1-25(2)21-11-7-19(8-12-21)23(28)13-16-26(17-14-23)15-3-4-22(27)18-5-9-20(24)10-6-18/h5-12,28H,3-4,13-17H2,1-2H3
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PubMed
n/an/an/a 7.60n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay


J Med Chem 62: 9488-9520 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00864
More data for this
Ligand-Target Pair
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