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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'botticelli' and Initial = 'l'   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257034
PNG
(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
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0.330n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50401953
PNG
(CHEMBL2207643)
Show SMILES COc1ccccc1N1CCN(Cc2ccc3cccccc23)CC1
Show InChI InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
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0.400n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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0.430n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608788
PNG
(CHEMBL5285358)
Show SMILES O\N=C\c1c(CN2CCN(CC2)c2ccccc2)[nH]c2ccccc12
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0.5n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50094505
PNG
(2-((4-phenylpiperazin-1-yl)methyl)-1H-indole-5-car...)
Show SMILES N#Cc1ccc2[nH]c(CN3CCN(CC3)c3ccccc3)cc2c1
Show InChI InChI=1S/C20H20N4/c21-14-16-6-7-20-17(12-16)13-18(22-20)15-23-8-10-24(11-9-23)19-4-2-1-3-5-19/h1-7,12-13,22H,8-11,15H2
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0.520n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608785
PNG
(CHEMBL5272162)
Show SMILES OCc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccc1
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0.660n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608786
PNG
(CHEMBL5278853)
Show SMILES N#Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccc1
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0.760n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50094503
PNG
(2-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1H-in...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
Show InChI InChI=1S/C20H19FN4/c21-17-2-4-19(5-3-17)25-9-7-24(8-10-25)14-18-12-16-11-15(13-22)1-6-20(16)23-18/h1-6,11-12,23H,7-10,14H2
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1n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50608802
PNG
(CHEMBL5277789)
Show SMILES Oc1cccc(OCCNCC2COCC(O2)(c2ccccc2)c2ccccc2)c1
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1.40n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109943
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#N)CC1
Show InChI InChI=1S/C19H18ClN5/c20-16-4-6-17(7-5-16)24-10-8-23(9-11-24)14-15-13-22-25-18(12-21)2-1-3-19(15)25/h1-7,13H,8-11,14H2
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1.5n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50150141
PNG
(2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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1.5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608803
PNG
(CHEMBL2005767)
Show SMILES Clc1ccc(OCC2CN(Cc3c[nH]c4ncccc34)CCO2)cc1
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1.5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608787
PNG
(CHEMBL5280364)
Show SMILES CCOC(=O)c1[nH]c2ccc(F)cc2c1CN1CCN(CC1)c1ccccc1
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1.5n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50147929
PNG
(4-(4-Bromo-benzyl)-2-(4-chloro-2-methoxy-phenoxyme...)
Show SMILES COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Br)cc2)CCCO1
Show InChI InChI=1S/C20H23BrClNO3/c1-24-20-11-17(22)7-8-19(20)26-14-18-13-23(9-2-10-25-18)12-15-3-5-16(21)6-4-15/h3-8,11,18H,2,9-10,12-14H2,1H3
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2n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119970
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m1/s1
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2n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119934
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-[1-(4-nitro-...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-17-14-20-4-2-3-5-22(20)25(17)23(27)15-18-10-12-24(13-11-18)16-19-6-8-21(9-7-19)26(28)29/h2-9,17-18H,10-16H2,1H3
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2n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50102712
PNG
(2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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2.20n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50153259
PNG
(2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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2.70n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50147932
PNG
(4-(4-Chloro-benzyl)-2-(4-chloro-2-methoxy-phenoxym...)
Show SMILES COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C19H21Cl2NO3/c1-23-19-10-16(21)6-7-18(19)25-13-17-12-22(8-9-24-17)11-14-2-4-15(20)5-3-14/h2-7,10,17H,8-9,11-13H2,1H3
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2.80n/an/an/an/an/an/an/an/a


TBA



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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608794
PNG
(UCSF924)
Show SMILES Cc1ccc2nc(CNCCCOc3ccccc3)cc(O)c2c1
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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3n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165589
PNG
(CHEMBL3798095)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1 |r|
Show InChI InChI=1S/C46H57N9O6/c1-27(2)19-40(49-29(5)57)45(59)52-41(20-28(3)4)46(60)51-39(22-32-24-48-37-14-10-8-12-35(32)37)44-54-53-43(55(44)25-30-15-17-33(61-6)18-16-30)38(50-42(58)26-56)21-31-23-47-36-13-9-7-11-34(31)36/h7-18,23-24,27-28,38-41,47-48,56H,19-22,25-26H2,1-6H3,(H,49,57)(H,50,58)(H,51,60)(H,52,59)/t38-,39-,40+,41+/m1/s1
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3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02191
BindingDB Entry DOI: 10.7270/Q2930Z75
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50165584
PNG
(CHEMBL3798056)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1 |r|
Show InChI InChI=1S/C50H67N11O5/c1-30(2)23-44(55-32(5)62)49(64)58-45(24-31(3)4)50(65)57-43(26-35-28-54-41-17-10-8-14-38(35)41)47-60-59-46(61(47)29-33-18-20-36(66-6)21-19-33)42(56-48(63)39(52)15-11-12-22-51)25-34-27-53-40-16-9-7-13-37(34)40/h7-10,13-14,16-21,27-28,30-31,39,42-45,53-54H,11-12,15,22-26,29,51-52H2,1-6H3,(H,55,62)(H,56,63)(H,57,65)(H,58,64)/t39-,42+,43+,44-,45-/m0/s1
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3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02191
BindingDB Entry DOI: 10.7270/Q2930Z75
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50073805
PNG
(3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyra...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3ccccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2
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3.10n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50069041
PNG
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1
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3.40n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50050476
PNG
(4-[5-(4-Chloro-phenyl)-4-methyl-isoxazol-3-yl]-1-p...)
Show SMILES Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
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3.5n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608792
PNG
(CHEMBL146246)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
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3.60n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092051
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24ClN3O/c1-23-19-5-3-2-4-17(19)14-20(21(23)26)25-12-10-24(11-13-25)15-16-6-8-18(22)9-7-16/h2-9,20H,10-15H2,1H3
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4n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50124932
PNG
(5-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1,2,6,7-tet...)
Show SMILES Cc1ccc(CN2CCN(CC2)C2CCc3cccc4CCN(c34)C2=O)cc1
Show InChI InChI=1S/C24H29N3O/c1-18-5-7-19(8-6-18)17-25-13-15-26(16-14-25)22-10-9-20-3-2-4-21-11-12-27(23(20)21)24(22)28/h2-8,22H,9-17H2,1H3
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4n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50153259
PNG
(2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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4n/an/an/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50083342
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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4.30n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608795
PNG
(CHEMBL5290993)
Show SMILES CC(C)N1C[C@H](C)[C@H](C1)NC(=O)N1Cc2ccccc2[C@@H]1C |r|
PDB

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4.30n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608789
PNG
(CHEMBL1616116)
Show SMILES Cc1ncc(CN2CCC(=CC2)c2ccccc2)c(N)n1 |c:9|
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5.20n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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8.30n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50070517
PNG
(3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Cc1ccc(cc1C)N1CCN(CCC2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)
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8.80n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608802
PNG
(CHEMBL5277789)
Show SMILES Oc1cccc(OCCNCC2COCC(O2)(c2ccccc2)c2ccccc2)c1
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10n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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13n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50058225
PNG
(CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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16n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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16n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608790
PNG
(CHEMBL5286175)
Show SMILES Clc1ccc2NCCC(=Nc2c1)N1CCN(CC1)c1ccccc1 |c:8|
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31n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50401953
PNG
(CHEMBL2207643)
Show SMILES COc1ccccc1N1CCN(Cc2ccc3cccccc23)CC1
Show InChI InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
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33n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50120945
PNG
(8-Chloro-6-(4-phenethyl-piperazin-1-yl)-11H-benzo[...)
Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1 |t:13|
Show InChI InChI=1S/C24H24ClN5/c25-19-8-9-21-20(17-19)24(28-22-7-4-11-26-23(22)27-21)30-15-13-29(14-16-30)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2,(H,26,27)
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40n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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41n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608796
PNG
(CHEMBL5278957)
Show SMILES CC(C)N1C[C@H](C)[C@@H](C1)NC(=O)c1cc2ccc(Br)cc2[nH]1 |r|
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80n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50401953
PNG
(CHEMBL2207643)
Show SMILES COc1ccccc1N1CCN(Cc2ccc3cccccc23)CC1
Show InChI InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
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82n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263503
PNG
(CHEMBL4079495)
Show SMILES COc1cccc(CCC2=NCCN2CCc2ccccc2)c1 |t:9|
Show InChI InChI=1S/C20H24N2O/c1-23-19-9-5-8-18(16-19)10-11-20-21-13-15-22(20)14-12-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
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95n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50120945
PNG
(8-Chloro-6-(4-phenethyl-piperazin-1-yl)-11H-benzo[...)
Show SMILES Clc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1 |t:13|
Show InChI InChI=1S/C24H24ClN5/c25-19-8-9-21-20(17-19)24(28-22-7-4-11-26-23(22)27-21)30-15-13-29(14-16-30)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2,(H,26,27)
PDB
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103n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119970
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m1/s1
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113n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608799
PNG
(CHEMBL5290570)
Show SMILES CCOC(=O)c1sc2[nH]cn\c(=N/[C@H]3CCN(CC)C3)c2c1C |r|
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130n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092051
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24ClN3O/c1-23-19-5-3-2-4-17(19)14-20(21(23)26)25-12-10-24(11-13-25)15-16-6-8-18(22)9-7-16/h2-9,20H,10-15H2,1H3
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133n/an/an/an/an/an/an/an/a


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Ligand-Target Pair
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