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5 similar compounds to monomer 50143903

Compile data set for download or QSAR
Wt: 224.2
BDBM50024844
Wt: 254.2
BDBM50024858
Wt: 355.3
BDBM50143889
Wt: 446.4
BDBM50143900
Wt: 341.3
BDBM50143905

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50024844,50024858,50143889,50143900,50143905   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143905
PNG
(CHEMBL3759443)
Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2
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PubMed
15n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143905
PNG
(CHEMBL3759443)
Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2
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616n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143905
PNG
(CHEMBL3759443)
Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2
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3.58E+3n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143905
PNG
(CHEMBL3759443)
Show SMILES FC(F)(F)c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C15H10F3NO3S/c16-15(17,18)12-7-3-1-5-10(12)9-19-14(20)11-6-2-4-8-13(11)23(19,21)22/h1-8H,9H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1095-105 (2016)


Article DOI: 10.1016/j.bmc.2016.01.038
BindingDB Entry DOI: 10.7270/Q27S7QNK
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50143889
PNG
(CHEMBL3758492)
Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cncnc1
Show InChI InChI=1S/C18H21N5O3/c24-17(4-2-1-3-5-18(25)23-26)22-21-10-14-6-8-15(9-7-14)16-11-19-13-20-12-16/h6-13,26H,1-5H2,(H,22,24)(H,23,25)/b21-10+
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Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay


Bioorg Med Chem Lett 26: 1265-71 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.022
BindingDB Entry DOI: 10.7270/Q2H99714
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50143900
PNG
(CHEMBL3758383)
Show SMILES COc1cc(NC(=O)Nc2cc(nn2-c2nc(C)cc(=O)[nH]2)-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C23H22N6O4/c1-14-9-21(30)27-22(24-14)29-20(13-19(28-29)15-7-5-4-6-8-15)26-23(31)25-16-10-17(32-2)12-18(11-16)33-3/h4-13H,1-3H3,(H,24,27,30)(H2,25,26,31)
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n/an/a 7.30E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.030
BindingDB Entry DOI: 10.7270/Q2CJ8GBV
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50024858
PNG
(2-(4-Methoxy-benzyl)-1H-benzoimidazol-4-ol | CHEMB...)
Show SMILES COc1ccc(Cc2nc3c(O)cccc3[nH]2)cc1
Show InChI InChI=1S/C15H14N2O2/c1-19-11-7-5-10(6-8-11)9-14-16-12-3-2-4-13(18)15(12)17-14/h2-8,18H,9H2,1H3,(H,16,17)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Beecham Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase


J Med Chem 30: 2216-21 (1988)


Article DOI: 10.1021/jm00395a007
BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50143889
PNG
(CHEMBL3758492)
Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cncnc1
Show InChI InChI=1S/C18H21N5O3/c24-17(4-2-1-3-5-18(25)23-26)22-21-10-14-6-8-15(9-7-14)16-11-19-13-20-12-16/h6-13,26H,1-5H2,(H,22,24)(H,23,25)/b21-10+
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n/an/a 3.20n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay


Bioorg Med Chem Lett 26: 1265-71 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.022
BindingDB Entry DOI: 10.7270/Q2H99714
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50024844
PNG
(2-Benzyl-1H-benzoimidazol-4-ol | CHEMBL306680)
Show SMILES Oc1cccc2[nH]c(Cc3ccccc3)nc12
Show InChI InChI=1S/C14H12N2O/c17-12-8-4-7-11-14(12)16-13(15-11)9-10-5-2-1-3-6-10/h1-8,17H,9H2,(H,15,16)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Beecham Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vitro inhibition of RBL-1 5-lipoxygenase


J Med Chem 30: 2216-21 (1988)


Article DOI: 10.1021/jm00395a007
BindingDB Entry DOI: 10.7270/Q27M08JG
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50143889
PNG
(CHEMBL3758492)
Show SMILES ONC(=O)CCCCCC(=O)N\N=C\c1ccc(cc1)-c1cncnc1
Show InChI InChI=1S/C18H21N5O3/c24-17(4-2-1-3-5-18(25)23-26)22-21-10-14-6-8-15(9-7-14)16-11-19-13-20-12-16/h6-13,26H,1-5H2,(H,22,24)(H,23,25)/b21-10+
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n/an/a 21n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using acetyllysine tripeptide coupled with 7-amino-4-methylcoumarin as substrate by fluorescence assay


Bioorg Med Chem Lett 26: 1265-71 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.022
BindingDB Entry DOI: 10.7270/Q2H99714
More data for this
Ligand-Target Pair