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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Microtubule-associated serine/threonine-protein kinase 3'   
Target
(Institution)
LigandTarget
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
Microtubule-associated serine/threonine-protein kinase 3


(Homo sapiens)
BDBM50439426
PNG
(CHEMBL2420572)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccccc1
Show InChI InChI=1S/C26H27N5O2/c32-20-9-7-19(8-10-20)28-23-24-27-14-15-31(24)22-16-17(6-11-21(22)29-23)25(33)30-26(12-13-26)18-4-2-1-3-5-18/h1-6,11,14-16,19-20,32H,7-10,12-13H2,(H,28,29)(H,30,33)/t19-,20-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAST3 in human HuH7 cell lysates


Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated serine/threonine-protein kinase 3


(Homo sapiens)
BDBM50439428
PNG
(CHEMBL2420564)
Show SMILES OC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1
Show InChI InChI=1S/C25H27N5O3/c31-15-21(16-4-2-1-3-5-16)29-25(33)17-6-11-20-22(14-17)30-13-12-26-24(30)23(28-20)27-18-7-9-19(32)10-8-18/h1-6,11-14,18-19,21,31-32H,7-10,15H2,(H,27,28)(H,29,33)/t18-,19-,21-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAST3 in human HuH7 cell lysates


Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated serine/threonine-protein kinase 3


(Homo sapiens)
BDBM50439425
PNG
(CHEMBL2420555)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20-
PDB
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KEGG

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antibodypedia
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 740n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAST3 in human HuH7 cell lysates


Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated serine/threonine-protein kinase 3


(Homo sapiens)
BDBM50439430
PNG
(CHEMBL2420556)
Show SMILES C[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1
Show InChI InChI=1S/C25H27N5O2/c1-16(17-5-3-2-4-6-17)27-25(32)18-7-12-21-22(15-18)30-14-13-26-24(30)23(29-21)28-19-8-10-20(31)11-9-19/h2-7,12-16,19-20,31H,8-11H2,1H3,(H,27,32)(H,28,29)/t16-,19-,20-/m1/s1
PDB
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PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAST3 in human HuH7 cell lysates


Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated serine/threonine-protein kinase 3


(Homo sapiens)
BDBM50439429
PNG
(CHEMBL2420562)
Show SMILES CC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1
Show InChI InChI=1S/C26H29N5O2/c1-2-21(17-6-4-3-5-7-17)30-26(33)18-8-13-22-23(16-18)31-15-14-27-25(31)24(29-22)28-19-9-11-20(32)12-10-19/h3-8,13-16,19-21,32H,2,9-12H2,1H3,(H,28,29)(H,30,33)/t19-,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAST3 in human HuH7 cell lysates


Citation and Details
More data for this
Ligand-Target Pair
Microtubule-associated serine/threonine-protein kinase 3


(Homo sapiens)
BDBM50439427
PNG
(CHEMBL2420565)
Show SMILES CCC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1
Show InChI InChI=1S/C27H31N5O2/c1-2-6-22(18-7-4-3-5-8-18)31-27(34)19-9-14-23-24(17-19)32-16-15-28-26(32)25(30-23)29-20-10-12-21(33)13-11-20/h3-5,7-9,14-17,20-22,33H,2,6,10-13H2,1H3,(H,29,30)(H,31,34)/t20-,21-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAST3 in human HuH7 cell lysates


Citation and Details
More data for this
Ligand-Target Pair