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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50018853   
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
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
PDB
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n/an/a 0.0900n/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))
BDBM50613245
PNG
(CHEMBL5266553)
Show SMILES C[C@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
PDB
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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
PDB
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n/an/a 0.180n/an/an/an/an/an/a


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Citation and Details
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
PDB
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n/an/a 0.210n/an/an/an/an/an/a


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Citation and Details
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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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
PDB
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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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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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n/an/a 0.320n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM50613246
PNG
(CHEMBL5316226)
Show SMILES C[C@@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
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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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n/an/a 0.350n/an/an/an/an/an/a


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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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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
PDB
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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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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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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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n/an/a 0.800n/an/an/an/an/an/a


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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
PDB
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n/an/a 0.800n/an/an/an/an/an/a


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Citation and Details
More data for this
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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n/an/a 1n/an/an/an/an/an/a


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More data for this
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
PDB
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n/an/a 1.10n/an/an/an/an/an/a


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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
PDB
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n/an/a 1.10n/an/an/an/an/an/a


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More data for this
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
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n/an/a 1.40n/an/an/an/an/an/a


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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
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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n/an/a 1.60n/an/an/an/an/an/a


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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
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n/an/a 2n/an/an/an/an/an/a


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Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613244
PNG
(CHEMBL5291119)
Show SMILES CC(C)OCCCC(=O)c1n[nH]cc1NC(=O)c1ccccc1
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610480
PNG
(N-(4-(4,4-Difluoropiperidin-1-yl)pyridin-3-yl)imid...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2ccnc12
PDB
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n/an/a 2.40n/an/an/an/an/an/a


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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50613247
PNG
(CHEMBL5278224)
Show SMILES FC1(F)CCN(CC1)c1cc(Cl)ncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1
PDB
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n/an/a 2.90n/an/an/an/an/an/a


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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610481
PNG
(N-(4-(2-Methylmorpholino)pyridin-3-yl)imidazo[1,2-...)
Show SMILES CC1CN(CCO1)c1ccncc1NC(=O)c1ccnn2ccnc12
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610494
PNG
(3-((Cyclopropylmethyl)amino)-N-(4-isopropoxypyridi...)
Show SMILES CC(C)Oc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610450
PNG
(2-Phenyl-N-(pyridin-3-yl)imidazo[1,2-b]pyridazine-...)
Show SMILES O=C(Nc1cccnc1)c1ccnn2cc(nc12)-c1ccccc1
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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610471
PNG
(N-(5-Methoxypyridin-3-yl)-2-phenylimidazo[1,2-b]py...)
Show SMILES COc1cncc(NC(=O)c2ccnn3cc(nc23)-c2ccccc2)c1
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n/an/a 7.5n/an/an/an/an/an/a


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Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50613245
PNG
(CHEMBL5266553)
Show SMILES C[C@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
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n/an/a 9.20n/an/an/an/an/an/a


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Ligand-Target Pair
Microtubule-associated protein tau


(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
PDB

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n/an/a 30n/an/an/an/an/an/a


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Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM610492
PNG
(3-((Cyclopropylmethyl)amino)-N-(4-methylpyridin-3-...)
Show SMILES Cc1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
PDB
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Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8296
PNG
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|
Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)
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n/an/a 34n/an/an/an/an/an/a


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Citation and Details
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Ligand-Target Pair
Microtubule-associated protein tau


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

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n/an/a 36n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM610496
PNG
(3-((Cyclopropylmethyl)amino)-N-(4-(4,4-difluoropip...)
Show SMILES FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnn2c(NCC3CC3)cnc12
PDB

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AffyNet 
PC cid
PC sid
UniChem
n/an/a 41n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50613243
PNG
(CHEMBL3601951)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(C)o1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 53n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


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

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
n/an/a 58n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM610476
PNG
(2-(2-Methoxyphenyl)-N-(4-(2-methylmorpholino)pyrid...)
Show SMILES COc1ccccc1-c1cn2nccc(C(=O)Nc3cnccc3N3CCOC(C)C3)c2n1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 58n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


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

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


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

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 83n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50613246
PNG
(CHEMBL5316226)
Show SMILES C[C@@H]1CN(CCO1)c1ccncc1NC(=O)c1ccnn2cc(nc12)-c1ccccc1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 86n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(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
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 120n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(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
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 130n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


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

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C theta type


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

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
n/an/a 360n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
PDB
UniChem
n/an/a 380n/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))
BDBM610491
PNG
(3-((Cyclopropylmethyl)amino)-N-(pyridin-3-yl)imida...)
Show SMILES O=C(Nc1cccnc1)c1ccnn2c(NCC3CC3)cnc12
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 510n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(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
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 910n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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