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2 similar compounds to monomer 50098433

Compile data set for download or QSAR
Wt: 490.6
BDBM50098420
Wt: 338.3
BDBM50098427

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50098420,50098427   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50098427
PNG
(CHEMBL3593591)
Show SMILES C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)CC#N
Show InChI InChI=1/C17H18N6O2/c1-10-4-7-22(14(24)2-5-18)9-13(10)23-15-11-3-6-19-16(11)20-8-12(15)21-17(23)25/h3,6,8,10,13H,2,4,7,9H2,1H3,(H,19,20)(H,21,25)/t10-,13+/s2
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n/an/a 1.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4846-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.028
BindingDB Entry DOI: 10.7270/Q2SX6G04
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2
Show InChI InChI=1/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/s2
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n/an/a 2.20n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC1 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...


Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2
Show InChI InChI=1/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/s2
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n/an/a 4.40n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC2 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...


Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50098427
PNG
(CHEMBL3593591)
Show SMILES C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)CC#N
Show InChI InChI=1/C17H18N6O2/c1-10-4-7-22(14(24)2-5-18)9-13(10)23-15-11-3-6-19-16(11)20-8-12(15)21-17(23)25/h3,6,8,10,13H,2,4,7,9H2,1H3,(H,19,20)(H,21,25)/t10-,13+/s2
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n/an/a 2.60n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4846-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.028
BindingDB Entry DOI: 10.7270/Q2SX6G04
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2
Show InChI InChI=1/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/s2
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n/an/a 35n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC6 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...


Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2
Show InChI InChI=1/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/s2
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n/an/a 102n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC8 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...


Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50098427
PNG
(CHEMBL3593591)
Show SMILES C[C@@H]1CCN(C[C@@H]1n1c2c(cnc3[nH]ccc23)[nH]c1=O)C(=O)CC#N
Show InChI InChI=1/C17H18N6O2/c1-10-4-7-22(14(24)2-5-18)9-13(10)23-15-11-3-6-19-16(11)20-8-12(15)21-17(23)25/h3,6,8,10,13H,2,4,7,9H2,1H3,(H,19,20)(H,21,25)/t10-,13+/s2
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n/an/a 1.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 kinase domain using biotin-Lyn-substrate-2 as substrate and ATP incubated for 1 hr by ELISA method


Bioorg Med Chem 23: 4846-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.028
BindingDB Entry DOI: 10.7270/Q2SX6G04
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50098420
PNG
(CHEMBL3593411)
Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)c2
Show InChI InChI=1/C23H30N4O4S2/c1-14(2)19-21(29)31-17(6-4-5-9-32)11-18(28)25-12-16-10-15(7-8-24-16)20-27-23(3,13-33-20)22(30)26-19/h4,6-8,10,14,17,19,32H,5,9,11-13H2,1-3H3,(H,25,28)(H,26,30)/b6-4+/t17-,19+,23+/s2
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n/an/a 2.30n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length HDAC3 (unknown origin) using MAZ1600/MAZ1675 as substrate assessed as release of 7 amino-4-methylcoumarin measu...


Bioorg Med Chem 23: 5061-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.063
BindingDB Entry DOI: 10.7270/Q2XP76QF
More data for this
Ligand-Target Pair