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PubMed code 26771245

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
TRAF2- and NCK-interacting kinase


(Homo sapiens (Human))
BDBM50139421
PNG
(CHEMBL3764451)
Show SMILES Cc1ccc(cc1)C(=O)Nc1sc(Nc2ccccc2)nc1C(N)=O
Show InChI InChI=1S/C18H16N4O2S/c1-11-7-9-12(10-8-11)16(24)22-17-14(15(19)23)21-18(25-17)20-13-5-3-2-4-6-13/h2-10H,1H3,(H2,19,23)(H,20,21)(H,22,24)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
100n/an/an/an/an/an/an/an/a



Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) by ATP competition assay


Eur J Med Chem 109: 89-98 (2016)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50139419
PNG
(CHEMBL3763303)
Show SMILES O=C(CCc1ccco1)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2S/c19-15(9-8-13-7-4-10-20-13)18-16-17-14(11-21-16)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,18,19)
PDB
MMDB

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 13n/an/an/an/an/an/a



Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged TRKA cytoplasmic domain (residues 440)


Eur J Med Chem 109: 89-98 (2016)

More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50139420
PNG
(CHEMBL3763630)
Show SMILES Fc1cc2[nH]c(NC(=O)c3csc(NC(=O)c4ccccc4OC(F)(F)F)n3)nc2cc1Cl
Show InChI InChI=1S/C19H10ClF4N5O3S/c20-9-5-11-12(6-10(9)21)26-17(25-11)28-16(31)13-7-33-18(27-13)29-15(30)8-3-1-2-4-14(8)32-19(22,23)24/h1-7H,(H,27,29,30)(H2,25,26,28,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 33n/an/an/an/an/an/a



Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CK1epsilon using GST-p53 (1 to 64 residues) as substrate by SDS-PAGE based autoradiography


Eur J Med Chem 109: 89-98 (2016)

More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50025020
PNG
(CHEMBL3337854)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)
PDB
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KEGG

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PDB
UniChem
PDB
PubMed
n/an/a 40n/an/an/an/an/an/a



Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat GST-tagged CK1delta expressed in Escherichia coli using GST-p53 (1 to 64 residues) as substrate by SDS-PAGE based autor...


Eur J Med Chem 109: 89-98 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50139420
PNG
(CHEMBL3763630)
Show SMILES Fc1cc2[nH]c(NC(=O)c3csc(NC(=O)c4ccccc4OC(F)(F)F)n3)nc2cc1Cl
Show InChI InChI=1S/C19H10ClF4N5O3S/c20-9-5-11-12(6-10(9)21)26-17(25-11)28-16(31)13-7-33-18(27-13)29-15(30)8-3-1-2-4-14(8)32-19(22,23)24/h1-7H,(H,27,29,30)(H2,25,26,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 42n/an/an/an/an/an/a



Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat GST-tagged CK1delta expressed in Escherichia coli using GST-p53 (1 to 64 residues) as substrate by SDS-PAGE based autor...


Eur J Med Chem 109: 89-98 (2016)

More data for this
Ligand-Target Pair
Casein kinase I delta/epsilon


(Homo sapiens (Human))
BDBM50025020
PNG
(CHEMBL3337854)
Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1nc(cs1)C(=O)Nc1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N5O3S/c21-19(22,23)9-5-6-11-12(7-9)28-17(27-11)30-16(33)13-8-35-18(29-13)31-15(32)10-3-1-2-4-14(10)34-20(24,25)26/h1-8H,(H,29,31,32)(H2,27,28,30,33)
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 199n/an/an/an/an/an/a



Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CK1epsilon using GST-p53 (1 to 64 residues) as substrate by SDS-PAGE based autoradiography


Eur J Med Chem 109: 89-98 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1894
PNG
(1-(2-phenylethyl)-3-1,3-thiazol-2-ylthiourea | CHE...)
Show SMILES S=C(NCCc1ccccc1)Nc1nccs1
Show InChI InChI=1S/C12H13N3S2/c16-11(15-12-14-8-9-17-12)13-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,13,14,15,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 900n/an/an/an/an/an/a



Post Graduate Department of Chemistry, Sree Chaitanya College, Habra, 24 Parganas 743268, India. Electronic address: debasisdas@chemconfidence.com.

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase using and rCdC as template and tritium-labeled dGTP incubated for 30 mins by liquid scintillation counting ...


Eur J Med Chem 109: 89-98 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%