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Compile Data Set for Download or QSAR

Found 132 hits of ec50 for UniProtKB: Q9Y2T5   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622923
PNG
(US11780827, Example 21)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(F)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 2n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622939
PNG
(US11780827, Example 37)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(F)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622914
PNG
(US11780827, Example 12)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(F)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622912
PNG
(US11780827, Example 10)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622910
PNG
(US11780827, Example 8)
Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(Cl)c1F
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622927
PNG
(US11780827, Example 25)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(Cl)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622916
PNG
(US11780827, Example 14)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(Cl)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622918
PNG
(US11780827, Example 16)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(Cl)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622921
PNG
(US11780827, Example 19)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(Cl)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622906
PNG
(US11780827, Example 4)
Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(F)c1F
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622942
PNG
(US11780827, Example 40)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(Cl)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622917
PNG
(US11780827, Example 15)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(F)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622922
PNG
(US11780827, Example 20)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(F)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622931
PNG
(US11780827, Example 29)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2ccc(F)c(F)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 5n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460255
PNG
(CHEMBL4226295)
Show SMILES Cc1nn(cc1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C23H20F3N3O2S/c1-14-19(22(31)27-8-9-30)13-29(28-14)20-7-3-5-16-12-18(32-21(16)20)11-15-4-2-6-17(10-15)23(24,25)26/h2-7,10,12-13,30H,8-9,11H2,1H3,(H,27,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.20n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622908
PNG
(US11780827, Example 6)
Show SMILES FC(F)c1cc(F)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 6n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622938
PNG
(US11780827, Example 36)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(F)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 6n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622928
PNG
(US11780827, Example 26)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(F)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 6n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622926
PNG
(US11780827, Example 24)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(F)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 6n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622925
PNG
(US11780827, Example 23)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(Cl)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 6n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622920
PNG
(US11780827, Example 18)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 6n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622913
PNG
(US11780827, Example 11)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)F)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 6n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622948
PNG
(US11780827, Example 46)
Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2cc(ncn2)C(F)(F)F)cc1F
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 7n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622924
PNG
(US11780827, Example 22)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)F)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 7n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622934
PNG
(US11780827, Example 32)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(Cl)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 8n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622937
PNG
(US11780827, Example 35)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 8n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622932
PNG
(US11780827, Example 30)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(Cl)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 8n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622903
PNG
(US11780827, Example 1)
Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc(c1)C(F)(F)F
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 9n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622904
PNG
(US11780827, Example 2)
Show SMILES Fc1cc(Cl)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 9n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622940
PNG
(US11780827, Example 38)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)c(F)c(Cl)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 9n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622915
PNG
(US11780827, Example 13)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(F)c2)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 9n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460264
PNG
(CHEMBL4229128)
Show SMILES COCCNC(=O)c1cn(nc1C)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H22F3N3O2S/c1-15-20(23(31)28-9-10-32-2)14-30(29-15)21-8-4-6-17-13-19(33-22(17)21)12-16-5-3-7-18(11-16)24(25,26)27/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.60n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622935
PNG
(US11780827, Example 33)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(F)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 10n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622909
PNG
(US11780827, Example 7)
Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc1Cl
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC sid
UniChem
n/an/an/an/a 10n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622907
PNG
(US11780827, Example 5)
Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)cc1F
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 10n/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622929
PNG
(US11780827, Example 27)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)F)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 11n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622919
PNG
(US11780827, Example 17)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)(F)F)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 11n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50252102
PNG
(CHEMBL4059658)
Show SMILES Cc1nc(Cc2cc(F)cc(c2)C(F)(F)F)sc1-c1ccc(C(N)=O)c(C)c1
Show InChI InChI=1S/C20H16F4N2OS/c1-10-5-13(3-4-16(10)19(25)27)18-11(2)26-17(28-18)8-12-6-14(20(22,23)24)9-15(21)7-12/h3-7,9H,8H2,1-2H3,(H2,25,27)
PDB

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UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 25: 3098-3115 (2017)


Article DOI: 10.1016/j.bmc.2017.03.064
BindingDB Entry DOI: 10.7270/Q2CC1347
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622941
PNG
(US11780827, Example 39)
Show SMILES CCc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)F)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 12n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622930
PNG
(US11780827, Example 28)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(F)c2)ncn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 12n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622943
PNG
(US11780827, Example 41)
Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccncn2)cc(Cl)c1F
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 12n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622911
PNG
(US11780827, Example 9)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)(F)F)cnn1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 14n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622947
PNG
(US11780827, Example 45)
Show SMILES Fc1ccc(OC2CN(C2)c2nccnc2C(=O)Nc2cc(ncn2)C(F)(F)F)cc1Cl
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More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460262
PNG
(CHEMBL4229063)
Show SMILES Cc1nn(c(C)c1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H22F3N3O2S/c1-14-21(23(32)28-9-10-31)15(2)30(29-14)20-8-4-6-17-13-19(33-22(17)20)12-16-5-3-7-18(11-16)24(25,26)27/h3-8,11,13,31H,9-10,12H2,1-2H3,(H,28,32)
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n/an/an/an/a 15n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622933
PNG
(US11780827, Example 31)
Show SMILES Cc1cc(NC(=O)c2nccnc2N2CC(C2)Oc2cc(F)cc(c2)C(F)(F)F)ncn1
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Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460263
PNG
(CHEMBL4226695)
Show SMILES COCCNC(=O)c1c(C)nn(c1C)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C25H24F3N3O2S/c1-15-22(24(32)29-10-11-33-3)16(2)31(30-15)21-9-5-7-18-14-20(34-23(18)21)13-17-6-4-8-19(12-17)25(26,27)28/h4-9,12,14H,10-11,13H2,1-3H3,(H,29,32)
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Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622905
PNG
(US11780827, Example 3)
Show SMILES Fc1cc(F)cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccnnc2)c1
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More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50460257
PNG
(CHEMBL4228912)
Show SMILES Cc1nn(c(CO)c1C(=O)NCCO)-c1cccc2cc(Cc3cccc(c3)C(F)(F)F)sc12
Show InChI InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)
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n/an/an/an/a 21n/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 26: 1598-1608 (2018)


Article DOI: 10.1016/j.bmc.2018.02.005
BindingDB Entry DOI: 10.7270/Q2377CC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM622944
PNG
(US11780827, Example 42)
Show SMILES Fc1cc(OC2CN(C2)c2nccnc2C(=O)Nc2ccncn2)cc(F)c1F
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More data for this
Ligand-Target Pair
G-protein coupled receptor 52


(Homo sapiens (Human))
BDBM50252099
PNG
(CHEMBL4087237)
Show SMILES Cc1cc(ccc1C(N)=O)-c1cc(Cc2cc(F)cc(c2)C(F)(F)F)nn1C
Show InChI InChI=1S/C20H17F4N3O/c1-11-5-13(3-4-17(11)19(25)28)18-10-16(26-27(18)2)8-12-6-14(20(22,23)24)9-15(21)7-12/h3-7,9-10H,8H2,1-2H3,(H2,25,28)
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Similars

Article
PubMed
n/an/an/an/a 23n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity at human GPR52 expressed in CHO cells assessed as increase in cAMP level after 30 mins by AlphaScreen assay


Bioorg Med Chem 25: 3098-3115 (2017)


Article DOI: 10.1016/j.bmc.2017.03.064
BindingDB Entry DOI: 10.7270/Q2CC1347
More data for this
Ligand-Target Pair
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