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Compile Data Set for Download or QSAR

Found 1995 hits with Last Name = 'silva' and Initial = 'a'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50073254
PNG
(Anthranilamide derivative | CHEMBL408110)
Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1
Show InChI InChI=1S/C46H44N6O8/c53-41(39(27-31-15-3-1-4-16-31)49-43(55)35-21-7-9-23-37(35)51-45(57)59-29-33-19-11-13-25-47-33)42(54)40(28-32-17-5-2-6-18-32)50-44(56)36-22-8-10-24-38(36)52-46(58)60-30-34-20-12-14-26-48-34/h1-26,39-42,53-54H,27-30H2,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t39-,40-,41-,42+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate


Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50285701
PNG
(Anthranilamide derivative | CHEMBL313767)
Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1
Show InChI InChI=1S/C46H44N6O7/c53-42(41(28-33-17-5-2-6-18-33)50-44(55)38-22-8-10-24-40(38)52-46(57)59-31-35-20-12-14-26-48-35)29-36(27-32-15-3-1-4-16-32)49-43(54)37-21-7-9-23-39(37)51-45(56)58-30-34-19-11-13-25-47-34/h1-26,36,41-42,53H,27-31H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,41-,42-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate


Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50285698
PNG
(Anthranilamide derivative | CHEMBL315500)
Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1cccnc1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1cccnc1
Show InChI InChI=1S/C46H44N6O7/c53-42(41(26-33-15-5-2-6-16-33)50-44(55)38-20-8-10-22-40(38)52-46(57)59-31-35-18-12-24-48-29-35)27-36(25-32-13-3-1-4-14-32)49-43(54)37-19-7-9-21-39(37)51-45(56)58-30-34-17-11-23-47-28-34/h1-24,28-29,36,41-42,53H,25-27,30-31H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,41-,42-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate


Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128931
PNG
(CHEMBL61880 | N-(9-Isobutyl-9H-carbazol-3-yl)-3-py...)
Show SMILES CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C23H29N3O/c1-17(2)16-26-21-8-4-3-7-19(21)20-15-18(9-10-22(20)26)24-23(27)11-14-25-12-5-6-13-25/h3-4,7-10,15,17H,5-6,11-14,16H2,1-2H3,(H,24,27)
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50120502
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)
Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:5|
Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.340n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cell membranes measured after 120 mins


Eur J Med Chem 180: 673-689 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.050
BindingDB Entry DOI: 10.7270/Q2XK8JXM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.370n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes measured after 30 mins


Eur J Med Chem 180: 673-689 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.050
BindingDB Entry DOI: 10.7270/Q2XK8JXM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50285700
PNG
(Anthranilamide derivative | CHEMBL315742)
Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccncc1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccncc1
Show InChI InChI=1S/C46H44N6O7/c53-42(41(28-33-13-5-2-6-14-33)50-44(55)38-16-8-10-18-40(38)52-46(57)59-31-35-21-25-48-26-22-35)29-36(27-32-11-3-1-4-12-32)49-43(54)37-15-7-9-17-39(37)51-45(56)58-30-34-19-23-47-24-20-34/h1-26,36,41-42,53H,27-31H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t36-,41-,42-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate


Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50120504
PNG
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 |t:25|
Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50121335
PNG
(CHEMBL3622099)
Show SMILES CCCN(CCN1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H33BrN4/c1-2-12-30(23-9-7-22(26)8-10-23)19-18-29-16-14-28(15-17-29)13-11-21-20-27-25-6-4-3-5-24(21)25/h3-10,20,27H,2,11-19H2,1H3
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0.720n/an/an/an/an/an/an/an/a



Universit degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D4 receptor expressed in CHO cells


ACS Med Chem Lett 6: 882-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00131
BindingDB Entry DOI: 10.7270/Q2708376
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50583520
PNG
(CHEMBL5094006)
Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21
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0.830n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01165
BindingDB Entry DOI: 10.7270/Q2T157JC
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128927
PNG
(CHEMBL59680 | N-(9-Ethyl-9H-carbazol-3-yl)-3-morph...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc12
Show InChI InChI=1S/C21H25N3O2/c1-2-24-19-6-4-3-5-17(19)18-15-16(7-8-20(18)24)22-21(25)9-10-23-11-13-26-14-12-23/h3-8,15H,2,9-14H2,1H3,(H,22,25)
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0.840n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
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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0.960n/an/an/an/an/an/an/an/a



Universit degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cells


ACS Med Chem Lett 6: 882-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00131
BindingDB Entry DOI: 10.7270/Q2708376
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50285696
PNG
(Anthranilamide derivative | CHEMBL85640)
Show SMILES O[C@@H](C[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1
Show InChI InChI=1S/C48H46N4O7/c53-44(43(30-35-19-7-2-8-20-35)50-46(55)40-26-14-16-28-42(40)52-48(57)59-33-37-23-11-4-12-24-37)31-38(29-34-17-5-1-6-18-34)49-45(54)39-25-13-15-27-41(39)51-47(56)58-32-36-21-9-3-10-22-36/h1-28,38,43-44,53H,29-33H2,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t38-,43-,44-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate


Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the human Neuropeptide Y receptor type 5 was determined using [125I]- [PYY] as radioligand


J Med Chem 46: 670-3 (2003)


Article DOI: 10.1021/jm025584p
BindingDB Entry DOI: 10.7270/Q2V987DS
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50285703
PNG
(Anthranilamide derivative | CHEMBL315928)
Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1ccccc1NC=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC=O
Show InChI InChI=1S/C34H34N4O6/c39-21-35-27-17-9-7-15-25(27)33(43)37-29(19-23-11-3-1-4-12-23)31(41)32(42)30(20-24-13-5-2-6-14-24)38-34(44)26-16-8-10-18-28(26)36-22-40/h1-18,21-22,29-32,41-42H,19-20H2,(H,35,39)(H,36,40)(H,37,43)(H,38,44)/t29-,30-,31-,32+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate


Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128943
PNG
(9-Ethyl-3-(3H-imidazo[4,5-b]pyridin-2-yl)-9H-carba...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2ncccc2[nH]1
Show InChI InChI=1S/C20H16N4/c1-2-24-17-8-4-3-6-14(17)15-12-13(9-10-18(15)24)19-22-16-7-5-11-21-20(16)23-19/h3-12H,2H2,1H3,(H,21,22,23)
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133761
PNG
(3-[5-(3-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)
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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50123737
PNG
(3-{2-[6-(2-tert-Butoxy-ethoxy)-pyridin-3-yl]-3H-im...)
Show SMILES CC(C)(C)OCCOc1ccc(cn1)-c1nc(c[nH]1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H22N4O2/c1-21(2,3)27-10-9-26-19-8-7-17(13-23-19)20-24-14-18(25-20)16-6-4-5-15(11-16)12-22/h4-8,11,13-14H,9-10H2,1-3H3,(H,24,25)
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the rat Neuropeptide Y receptor type 5 was determined using [125I]- [Leu31,Pro34]PYY as radioligand


J Med Chem 46: 670-3 (2003)


Article DOI: 10.1021/jm025584p
BindingDB Entry DOI: 10.7270/Q2V987DS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118337
PNG
(1-(benzo[b]thiophen-3-yl)-3-(4-(3,4-dihydro-2H-ben...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccccc12
Show InChI InChI=1S/C24H28N2O3S/c27-21(19-17-30-23-8-2-1-5-18(19)23)9-10-25-11-13-26(14-12-25)20-6-3-7-22-24(20)29-16-4-15-28-22/h1-3,5-8,17,21,27H,4,9-16H2
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1.91n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50285691
PNG
(Anthranilamide derivative | CHEMBL264622)
Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccc1
Show InChI InChI=1S/C48H46N4O8/c53-43(41(29-33-17-5-1-6-18-33)49-45(55)37-25-13-15-27-39(37)51-47(57)59-31-35-21-9-3-10-22-35)44(54)42(30-34-19-7-2-8-20-34)50-46(56)38-26-14-16-28-40(38)52-48(58)60-32-36-23-11-4-12-24-36/h1-28,41-44,53-54H,29-32H2,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t41-,42-,43-,44+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate


Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50415830
PNG
(CHEMBL1095256)
Show SMILES Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccc(F)cc45)CC3)c2n1
Show InChI InChI=1S/C25H26FN3OS/c1-17-5-6-18-3-2-4-22(25(18)27-17)29-13-11-28(12-14-29)10-9-23(30)21-16-31-24-8-7-19(26)15-20(21)24/h2-8,15-16,23,30H,9-14H2,1H3
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2.51n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128938
PNG
(2-Benzylamino-N-(9-ethyl-9H-carbazol-3-yl)-acetami...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc12
Show InChI InChI=1S/C23H23N3O/c1-2-26-21-11-7-6-10-19(21)20-14-18(12-13-22(20)26)25-23(27)16-24-15-17-8-4-3-5-9-17/h3-14,24H,2,15-16H2,1H3,(H,25,27)
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2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118336
PNG
(1-(5-Fluoro-benzo[b]thiophen-3-yl)-3-(4-quinolin-8...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2cccnc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H24FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16,22,29H,8,10-14H2
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2.69n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM50285695
PNG
(Anthranilamide derivative | CHEMBL86263)
Show SMILES O[C@@H]([C@H](Cc1ccccc1)NC(=O)c1cccnc1NC(=O)OCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1NC(=O)OCc1ccccc1
Show InChI InChI=1S/C46H44N6O8/c53-39(37(27-31-15-5-1-6-16-31)49-43(55)35-23-13-25-47-41(35)51-45(57)59-29-33-19-9-3-10-20-33)40(54)38(28-32-17-7-2-8-18-32)50-44(56)36-24-14-26-48-42(36)52-46(58)60-30-34-21-11-4-12-22-34/h1-26,37-40,53-54H,27-30H2,(H,49,55)(H,50,56)(H,47,51,57)(H,48,52,58)/t37-,38-,39-,40+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV protease using fluorogenic substrate


Bioorg Med Chem Lett 5: 2557-2562 (1995)


Article DOI: 10.1016/0960-894X(95)00449-4
BindingDB Entry DOI: 10.7270/Q2RB74KT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118327
PNG
(3-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)pi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C24H27FN2O3S/c25-17-5-6-23-18(15-17)19(16-31-23)21(28)7-8-26-9-11-27(12-10-26)20-3-1-4-22-24(20)30-14-2-13-29-22/h1,3-6,15-16,21,28H,2,7-14H2
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3.02n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
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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3.30n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human D2S receptor expressed in CHOK1 cell membranes measured after 120 mins


Eur J Med Chem 180: 673-689 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.050
BindingDB Entry DOI: 10.7270/Q2XK8JXM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50492547
PNG
(CHEMBL2409169)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)NC[C@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C34H41N5O5.C2HF3O2/c35-29(20-25-13-15-28(40)16-14-25)34(44)39-17-7-12-30(39)33(43)38-27(19-24-10-5-2-6-11-24)21-31(41)37-22-26(32(36)42)18-23-8-3-1-4-9-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,26-27,29-30,40H,7,12,17-22,35H2,(H2,36,42)(H,37,41)(H,38,43);(H,6,7)/t26-,27-,29-,30-;/m0./s1
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3.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells after 90 mins by liquid scintillation counting


ACS Med Chem Lett 4: 795-9 (2013)


Article DOI: 10.1021/ml400189r
BindingDB Entry DOI: 10.7270/Q20G3P2R
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128928
PNG
(CHEMBL301638 | N-(9-Isopropyl-9H-carbazol-3-yl)-3-...)
Show SMILES CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C22H27N3O/c1-16(2)25-20-8-4-3-7-18(20)19-15-17(9-10-21(19)25)23-22(26)11-14-24-12-5-6-13-24/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,23,26)
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3.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133775
PNG
(4-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccncc1
Show InChI InChI=1S/C14H9Cl2N3/c15-11-2-1-10(7-12(11)16)13-8-18-14(19-13)9-3-5-17-6-4-9/h1-8H,(H,18,19)
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552436
PNG
(CHEMBL4749654)
Show SMILES C=CCN1CCN(CC2Cc3cc(ccc3O2)-c2ccccc2)CC1
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133780
PNG
(3-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H9Cl2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H,(H,18,19)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50081174
PNG
(CHEMBL3421968)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
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4.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128764
BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50128935
PNG
(CHEMBL294305 | N-(9-Ethyl-9H-carbazol-3-yl)-2-pyri...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc12
Show InChI InChI=1S/C21H19N3O/c1-2-24-19-6-4-3-5-17(19)18-14-16(7-8-20(18)24)23-21(25)13-15-9-11-22-12-10-15/h3-12,14H,2,13H2,1H3,(H,23,25)
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4.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using 125[I]-PYY as radioligand


Bioorg Med Chem Lett 13: 1989-92 (2003)


BindingDB Entry DOI: 10.7270/Q2057F9D
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50133762
PNG
(3-[5-(3-Trifluoromethoxy-phenyl)-1H-imidazol-2-yl]...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)22-12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)
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4.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50120505
PNG
(2-Amino-N-{(R)-1-(2,4-difluoro-benzyloxymethyl)-2-...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 |t:25|
Show InChI InChI=1S/C28H31F5N6O4/c1-26(2,34)24(41)36-21(14-43-13-17-6-7-18(29)11-20(17)30)23(40)38-10-8-22-27(15-38,12-19-5-3-4-9-35-19)25(42)39(37-22)16-28(31,32)33/h3-7,9,11,21H,8,10,12-16,34H2,1-2H3,(H,36,41)/t21-,27-/m1/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102331
PNG
(1-(2,5-Dimethyl-thiophen-3-yl)-3-[4-(2-methoxy-phe...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1
Show InChI InChI=1S/C20H26N2O2S/c1-15-14-17(16(2)25-15)19(23)8-9-21-10-12-22(13-11-21)18-6-4-5-7-20(18)24-3/h4-7,14H,8-13H2,1-3H3
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5.01n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
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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5.16n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO-K1 cells by radioligand competitive binding analysis


J Nat Prod 83: 127-133 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00921
BindingDB Entry DOI: 10.7270/Q28S4T7M
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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5.20n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO-K1 cells by radioligand competitive binding analysis


J Nat Prod 83: 127-133 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00921
BindingDB Entry DOI: 10.7270/Q28S4T7M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50139013
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells after 90 mins by liquid scintillation counting


ACS Med Chem Lett 4: 795-9 (2013)


Article DOI: 10.1021/ml400189r
BindingDB Entry DOI: 10.7270/Q20G3P2R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50492550
PNG
(CHEMBL2409168)
Show SMILES OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)NC[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C34H41N5O5.C2HF3O2/c35-29(20-25-13-15-28(40)16-14-25)34(44)39-17-7-12-30(39)33(43)38-27(19-24-10-5-2-6-11-24)21-31(41)37-22-26(32(36)42)18-23-8-3-1-4-9-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,26-27,29-30,40H,7,12,17-22,35H2,(H2,36,42)(H,37,41)(H,38,43);(H,6,7)/t26-,27+,29+,30+;/m1./s1
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5.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells after 90 mins by liquid scintillation counting


ACS Med Chem Lett 4: 795-9 (2013)


Article DOI: 10.1021/ml400189r
BindingDB Entry DOI: 10.7270/Q20G3P2R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50118335
PNG
(3-(4-(2,3-dihydrobenzo[b][1,4]dioxin-5-yl)piperazi...)
Show SMILES OC(CCN1CCN(CC1)c1cccc2OCCOc12)c1csc2ccc(F)cc12
Show InChI InChI=1S/C23H25FN2O3S/c24-16-4-5-22-17(14-16)18(15-30-22)20(27)6-7-25-8-10-26(11-9-25)19-2-1-3-21-23(19)29-13-12-28-21/h1-5,14-15,20,27H,6-13H2
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6.03n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
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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6.20n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO-K1 cells by radioligand competitive binding analysis


J Nat Prod 83: 127-133 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00921
BindingDB Entry DOI: 10.7270/Q28S4T7M
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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6.20n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO-K1 cells by radioligand competitive binding analysis


J Nat Prod 83: 127-133 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00921
BindingDB Entry DOI: 10.7270/Q28S4T7M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50552434
PNG
(CHEMBL4747180)
Show SMILES COc1ccc2OC(CN3CCN(CC=C)CC3)Cc2c1
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 3 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102377
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H23N3O2S/c1-23-18-5-3-2-4-17(18)21-11-9-20(10-12-21)8-6-16(19-22)15-7-13-24-14-15/h2-5,7,13-14,16H,6,8-12H2,1H3
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6.46n/an/an/an/an/an/an/an/a



Universidade Federal da Para£ba

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A


Eur J Med Chem 45: 1508-14 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.059
BindingDB Entry DOI: 10.7270/Q2HX1DX1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50102377
PNG
(3-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(thiophen-...)
Show SMILES COc1ccccc1N1CCN(CCC(N=O)c2ccsc2)CC1
Show InChI InChI=1S/C18H23N3O2S/c1-23-18-5-3-2-4-17(18)21-11-9-20(10-12-21)8-6-16(19-22)15-7-13-24-14-15/h2-5,7,13-14,16H,6,8-12H2,1H3
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6.46n/an/an/an/an/an/an/an/a



Universidade de S£o Paulo

Curated by ChEMBL


Assay Description
Binding affinity to 5HT1A receptor


Eur J Med Chem 43: 364-72 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.036
BindingDB Entry DOI: 10.7270/Q2SQ91NB
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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6.80n/an/an/an/an/an/an/an/a



Universit degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells


ACS Med Chem Lett 6: 882-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00131
BindingDB Entry DOI: 10.7270/Q2708376
More data for this
Ligand-Target Pair
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