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Compile Data Set for Download or QSAR

Found 444 hits with Last Name = 'clarke' and Initial = 'wj'   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50386376
PNG
(CHEMBL2046865)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#6]-[#6]-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C29H34N4O3/c30-29(31)32-20-8-7-13-25(26(35)19-16-21-14-17-24(34)18-15-21)33-28(36)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-12,14-15,17-18,25,27,34H,7-8,13,16,19-20H2,(H,33,36)(H4,30,31,32)/t25-/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]peptideYY from NPY1 receptor in human SK-N-MC cells after 1 hr by scintillation counting


ACS Med Chem Lett 3: 222-226 (2012)


Article DOI: 10.1021/ml200265m
BindingDB Entry DOI: 10.7270/Q2ZP475V
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610453
PNG
(2-Phenyl-N-(4-(2,2,2-trifluoroethoxy)pyridin-3-yl)...)
Show SMILES FC(F)(F)COc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613245
PNG
(CHEMBL5266553)
PDB
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613418
PNG
(CHEMBL5268185)
PDB
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610483
PNG
(2-Cyclopropyl-N-(4-(4,4-difluoropiperidin-1-yl)pyr...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610462
PNG
(N-(4-Morpholinopyridin-3-yl)-2-phenylimidazo[1,2-b...)
Show SMILES O=C(Nc1cnccc1N1CCOCC1)c1ccnn2cc(nc12)-c1ccccc1
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610461
PNG
(N-(4-(4,4-Difluoropiperidin-1-yl)pyridin-3-yl)-2-p...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610477
PNG
(N-(4-Morpholinopyridin-3-yl)-2-(4-(trifluoromethyl...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cn2nccc(C(=O)Nc3cnccc3N3CCOCC3)c2n1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610458
PNG
(2-Phenyl-N-(4-(piperidin-1-yl)pyridin-3-yl)imidazo...)
Show SMILES O=C(Nc1cnccc1N1CCCCC1)c1ccnn2cc(nc12)-c1ccccc1
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613417
PNG
(CHEMBL5290300)
PDB
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610469
PNG
((S)—N-(4-(3-Methylmorpholino)pyridin-3-yl)-2-pheny...)
Show SMILES C[C@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613415
PNG
(CHEMBL5273872)
PDB
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613246
PNG
(CHEMBL5316226)
PDB
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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610463
PNG
(BDBM610464 | BDBM610465 | N-(4-(2-Methylmorpholino...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610476
PNG
(2-(2-Methoxyphenyl)-N-(4-(2-methylmorpholino)pyrid...)
Show SMILES COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCOC(C)C3)c2n1
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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610454
PNG
(N-(4-(Methylsulfonyl)pyridin-3-yl)-2-phenylimidazo...)
Show SMILES CS(=O)(=O)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610452
PNG
(N-(4-Isopropoxypyridin-3-yl)-2-phenylimidazo[1,2-b...)
Show SMILES CC(C)Oc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610482
PNG
(2-Cyclopropyl-N-(4-(4-fluorophenyl)pyridin-3-yl)im...)
Show SMILES Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613407
PNG
(CHEMBL5269649)
PDB
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610478
PNG
(N-(4-(2-Methylmorpholino)pyridin-3-yl)-2-(4-(trifl...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccc(cc1)C(F)(F)F
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613413
PNG
(CHEMBL5265990)
PDB
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613402
PNG
(CHEMBL5270885)
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610451
PNG
(N-(4-Methylpyridin-3-yl)-2-phenylimidazo[1,2-b]pyr...)
Show SMILES Cc1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
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n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610484
PNG
(2-Cyclopropyl-N-(4-(2-methylmorpholino)pyridin-3-y...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)C1CC1
PDB
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613418
PNG
(CHEMBL5268185)
PDB
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613414
PNG
(CHEMBL5280241)
PDB
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613402
PNG
(CHEMBL5270885)
PDB
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TBA



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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610468
PNG
((R)—N-(4-(3-Methylmorpholino)pyridin-3-yl)-2-pheny...)
Show SMILES C[C@@H]1COCCN1c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
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TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613401
PNG
(CHEMBL5284458)
PDB
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n/an/a 1.10n/an/an/an/an/an/a


TBA



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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613411
PNG
(CHEMBL5287898)
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610456
PNG
(N-(4-(4-Fluorophenyl)pyridin-3-yl)-2-phenylimidazo...)
Show SMILES Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
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More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610455
PNG
(2-Phenyl-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyr...)
Show SMILES O=C(Nc1cnccc1-c1ccccc1)c1ccnn2cc(nc12)-c1ccccc1
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613419
PNG
(CHEMBL5281592)
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613417
PNG
(CHEMBL5290300)
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610496
PNG
(3-((Cyclopropylmethyl)amino)-N-(4-(4,4-difluoropip...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613423
PNG
(CHEMBL5283654)
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610497
PNG
(3-((Cyclopropylmethyl)amino)-N-(4-morpholinopyridi...)
Show SMILES O=C(Nc1cnccc1N1CCOCC1)c1ccnn2c(NCC3CC3)cnc12
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610498
PNG
(3-((Cyclopropylmethyl)amino)-N-(4-(2-methylmorphol...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613393
PNG
(CHEMBL5288565)
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613403
PNG
(CHEMBL5271618)
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613415
PNG
(CHEMBL5273872)
PDB
MMDB

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n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613409
PNG
(CHEMBL5272425)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613423
PNG
(CHEMBL5283654)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 1.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613413
PNG
(CHEMBL5265990)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613244
PNG
(CHEMBL5291119)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613394
PNG
(CHEMBL5278465)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610495
PNG
(3-((Cyclopropylmethyl)amino)-N-(4-phenylpyridin-3-...)
Show SMILES O=C(Nc1cnccc1-c1ccccc1)c1ccnn2c(NCC3CC3)cnc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613425
PNG
(CHEMBL5284549)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613416
PNG
(CHEMBL5280368)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 2.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613407
PNG
(CHEMBL5269649)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 2.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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