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Compile Data Set for Download or QSAR

Found 5 hits of ph data with Target = 'MRCK alpha'   
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
MRCK alpha


(Homo sapiens (Human))
BDBM25470
PNG
(N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)
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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 4.85E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25471
PNG
(N-[4-(pyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodi...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1
Show InChI InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)
PDB

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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 7.05E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25474
PNG
(JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.19E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25473
PNG
(N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...)
Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 367n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair
MRCK alpha


(Homo sapiens (Human))
BDBM25472
PNG
(CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...)
Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.19E+3n/an/an/an/a7.322



The Scripps Research Institute



Assay Description
The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...


J Med Chem 51: 6642-5 (2008)


Article DOI: 10.1021/jm800986w
BindingDB Entry DOI: 10.7270/Q2JS9NRN
More data for this
Ligand-Target Pair