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Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'haisma' and Initial = 'hj'   
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
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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17n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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2.60E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50401193
PNG
(CHEMBL1934604)
Show SMILES CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1
Show InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)12-13-18-14-19(23)15-20(24)21(18)22(25)26/h8-11,14-15,23-24H,2-7,12-13H2,1H3,(H,25,26)
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9.80E+3n/an/an/an/an/an/an/an/a



Groningen Research Institute of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of soyabean lipoxygenase-1 assessed as inhibition constant for enzyme-inhibitor complex by Lineweaver-Burk plot


Bioorg Med Chem 20: 5027-32 (2012)


Article DOI: 10.1016/j.bmc.2012.06.019
BindingDB Entry DOI: 10.7270/Q20R9QJG
More data for this
Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1


(Glycine max (soybean))
BDBM50401193
PNG
(CHEMBL1934604)
Show SMILES CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1
Show InChI InChI=1S/C22H28O4/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)12-13-18-14-19(23)15-20(24)21(18)22(25)26/h8-11,14-15,23-24H,2-7,12-13H2,1H3,(H,25,26)
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1.57E+4n/an/an/an/an/an/an/an/a



Groningen Research Institute of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of soyabean lipoxygenase-1 assessed as inhibition constant for enzyme-substrate-inhibitor complex by Lineweaver-Burk plot


Bioorg Med Chem 20: 5027-32 (2012)


Article DOI: 10.1016/j.bmc.2012.06.019
BindingDB Entry DOI: 10.7270/Q20R9QJG
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50444319
PNG
(CHEMBL3094153)
Show SMILES CC(C)CCCC(C)CCOc1ccc(COc2cccc(O)c2C([O-])=O)cc1
Show InChI InChI=1S/C24H32O5/c1-17(2)6-4-7-18(3)14-15-28-20-12-10-19(11-13-20)16-29-22-9-5-8-21(25)23(22)24(26)27/h5,8-13,17-18,25H,4,6-7,14-16H2,1-3H3,(H,26,27)/p-1
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7.03E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to human 5-LOX using linoleic acid as substrate


Bioorg Med Chem 21: 7763-78 (2013)


Article DOI: 10.1016/j.bmc.2013.10.015
BindingDB Entry DOI: 10.7270/Q2HD7X3K
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50444319
PNG
(CHEMBL3094153)
Show SMILES CC(C)CCCC(C)CCOc1ccc(COc2cccc(O)c2C([O-])=O)cc1
Show InChI InChI=1S/C24H32O5/c1-17(2)6-4-7-18(3)14-15-28-20-12-10-19(11-13-20)16-29-22-9-5-8-21(25)23(22)24(26)27/h5,8-13,17-18,25H,4,6-7,14-16H2,1-3H3,(H,26,27)/p-1
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1.40E+5n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to human 5-LOX-linoleic acid complex


Bioorg Med Chem 21: 7763-78 (2013)


Article DOI: 10.1016/j.bmc.2013.10.015
BindingDB Entry DOI: 10.7270/Q2HD7X3K
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 500n/an/an/an/an/an/a



Groningen Research Institute of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX


Bioorg Med Chem 20: 5027-32 (2012)


Article DOI: 10.1016/j.bmc.2012.06.019
BindingDB Entry DOI: 10.7270/Q20R9QJG
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50282619
PNG
(CHEMBL4159902)
Show SMILES Nc1ccc(O)c2ccncc12
Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Tested for antagonist activity against NK1 receptor in rabbit vena cava by using substance P (SP) as agonist


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Tested for antagonist activity against NK1 receptor in rabbit vena cava by using substance P (SP) as agonist


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247839
PNG
(CHEMBL447612 | methyl 3-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C7H8ClNO3S/c1-12-7(11)2-3-9-6(10)4-5(8)13-9/h4H,2-3H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247839
PNG
(CHEMBL447612 | methyl 3-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C7H8ClNO3S/c1-12-7(11)2-3-9-6(10)4-5(8)13-9/h4H,2-3H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247843
PNG
(CHEMBL510872 | Ethyl 3-(5-chloro-3-oxoisothiazol-2...)
Show SMILES CCOC(=O)CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C8H10ClNO3S/c1-2-13-8(12)3-4-10-7(11)5-6(9)14-10/h5H,2-4H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50300427
PNG
(4,5-Dichloro-2-ethylisothiazol-3(2H)-one | CHEMBL5...)
Show SMILES CCn1sc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C5H5Cl2NOS/c1-2-8-5(9)3(6)4(7)10-8/h2H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247840
PNG
(CHEMBL489116 | Methyl 4-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCCn1sc(Cl)cc1=O
Show InChI InChI=1S/C8H10ClNO3S/c1-13-8(12)3-2-4-10-7(11)5-6(9)14-10/h5H,2-4H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247844
PNG
(5-Chloro-2-(3-chloro-4-fluorophenyl)isothiazol-3(2...)
Show SMILES Fc1ccc(cc1Cl)-n1sc(Cl)cc1=O
Show InChI InChI=1S/C9H4Cl2FNOS/c10-6-3-5(1-2-7(6)12)13-9(14)4-8(11)15-13/h1-4H
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50300425
PNG
(CHEMBL573028 | Methyl 3-(4,5-dichloro-3-oxoisothia...)
Show SMILES COC(=O)CCn1sc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C7H7Cl2NO3S/c1-13-4(11)2-3-10-7(12)5(8)6(9)14-10/h2-3H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247845
PNG
(Benzyl [2-(5-chloro-3-oxoisothiazol-2(3H)-yl)ethyl...)
Show SMILES Clc1cc(=O)n(CCNC(=O)OCc2ccccc2)s1
Show InChI InChI=1S/C13H13ClN2O3S/c14-11-8-12(17)16(20-11)7-6-15-13(18)19-9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,15,18)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM43307
PNG
(4-methyl-N-(4-oxidanylnaphthalen-1-yl)benzenesulfo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C17H15NO3S/c1-12-6-8-13(9-7-12)22(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Tested for antagonist activity against NK-3 receptor in rat portal vein by using Neurokinin B as agonist


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247841
PNG
(CHEMBL443133 | Methyl 4-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCCCn1sc(Cl)cc1=O
Show InChI InChI=1S/C9H12ClNO3S/c1-14-9(13)4-2-3-5-11-8(12)6-7(10)15-11/h6H,2-5H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247838
PNG
(CHEMBL466866 | Methyl 2-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)Cn1sc(Cl)cc1=O
Show InChI InChI=1S/C6H6ClNO3S/c1-11-6(10)3-8-5(9)2-4(7)12-8/h2H,3H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247837
PNG
(5-Chloro-2-pentylisothiazol-3(2H)-one | CHEMBL4891...)
Show SMILES CCCCCn1sc(Cl)cc1=O
Show InChI InChI=1S/C8H12ClNOS/c1-2-3-4-5-10-8(11)6-7(9)12-10/h6H,2-5H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247820
PNG
(5-Chloro-2-ethylisothiazol-3(2H)-one | CHEMBL46147...)
Show SMILES CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C5H6ClNOS/c1-2-7-5(8)3-4(6)9-7/h3H,2H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247820
PNG
(5-Chloro-2-ethylisothiazol-3(2H)-one | CHEMBL46147...)
Show SMILES CCn1sc(Cl)cc1=O
Show InChI InChI=1S/C5H6ClNOS/c1-2-7-5(8)3-4(6)9-7/h3H,2H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50282490
PNG
(CHEMBL4172065)
Show SMILES CS(=O)(=O)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247842
PNG
(CHEMBL442599 | Methyl 6-(5-chloro-3-oxoisothiazol-...)
Show SMILES COC(=O)CCCCCn1sc(Cl)cc1=O
Show InChI InChI=1S/C10H14ClNO3S/c1-15-10(14)5-3-2-4-6-12-9(13)7-8(11)16-12/h7H,2-6H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50303931
PNG
(4-(dimethylamino)naphthalen-1-ol | CHEMBL571241)
Show SMILES CN(C)c1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H13NO/c1-13(2)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of KAT3B catalytic domain (1284 to 1673 residues) (unknown origin) using SGRGKGGKGLGKGGAKRHRK-NH2 as substrate after 5 mins in presence of...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50282490
PNG
(CHEMBL4172065)
Show SMILES CS(=O)(=O)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C11H11NO3S/c1-16(14,15)12-10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,12-13H,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50303931
PNG
(4-(dimethylamino)naphthalen-1-ol | CHEMBL571241)
Show SMILES CN(C)c1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H13NO/c1-13(2)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,14H,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247868
PNG
(2-(3-Chloro-4-fluorophenyl)isothiazol-3(2H)-one | ...)
Show SMILES Fc1ccc(cc1Cl)-n1sccc1=O
Show InChI InChI=1S/C9H5ClFNOS/c10-7-5-6(1-2-8(7)11)12-9(13)3-4-14-12/h1-5H
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247871
PNG
(CHEMBL521965 | Methyl 3-[4-{[(benzyloxy)carbonyl]a...)
Show SMILES COC(=O)CCn1sc(Cl)c(NC(=O)OCc2ccccc2)c1=O
Show InChI InChI=1S/C15H15ClN2O5S/c1-22-11(19)7-8-18-14(20)12(13(16)24-18)17-15(21)23-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged p300 HAT domain expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrat...


Eur J Med Chem 47: 337-44 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.001
BindingDB Entry DOI: 10.7270/Q2XD123P
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247869
PNG
(CHEMBL509992 | methyl 3-(5-chloro-1-oxido-3-oxoiso...)
Show SMILES COC(=O)CCn1c(=O)cc(Cl)s1=O
Show InChI InChI=1S/C7H8ClNO4S/c1-13-7(11)2-3-9-6(10)4-5(8)14(9)12/h4H,2-3H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247869
PNG
(CHEMBL509992 | methyl 3-(5-chloro-1-oxido-3-oxoiso...)
Show SMILES COC(=O)CCn1c(=O)cc(Cl)s1=O
Show InChI InChI=1S/C7H8ClNO4S/c1-13-7(11)2-3-9-6(10)4-5(8)14(9)12/h4H,2-3H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50282619
PNG
(CHEMBL4159902)
Show SMILES Nc1ccc(O)c2ccncc12
Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of KAT2B catalytic domain (492 to 658 residues) (unknown origin) using H-ARTKQTARKSTGGKAPRKQL-OH as substrate after 5 mins in presence of ...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM50282619
PNG
(CHEMBL4159902)
Show SMILES Nc1ccc(O)c2ccncc12
Show InChI InChI=1S/C9H8N2O/c10-8-1-2-9(12)6-3-4-11-5-7(6)8/h1-5,12H,10H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50292429
PNG
(2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...)
Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged PCAF HAT domain expressed in Escherichia coli BL21(DE3) cells using [14C]Ac-AoA and histone H4 as substrat...


Eur J Med Chem 47: 337-44 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.001
BindingDB Entry DOI: 10.7270/Q2XD123P
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT8


(Homo sapiens (Human))
BDBM43339
PNG
(4-amino-1-naphthalenol;hydrochloride | 4-amino-1-n...)
Show SMILES Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H9NO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H,11H2
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged KAT8 catalytic domain (125 to 458 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using SGRGK...


Eur J Med Chem 136: 480-486 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.015
BindingDB Entry DOI: 10.7270/Q20Z75S9
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247846
PNG
(2-Ethylisothiazol-3(2H)-one | CHEMBL490685)
Show SMILES CCn1sccc1=O
Show InChI InChI=1S/C5H7NOS/c1-2-6-5(7)3-4-8-6/h3-4H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247864
PNG
(2-pentylisothiazol-3(2H)-one | CHEMBL491668)
Show SMILES CCCCCn1sccc1=O
Show InChI InChI=1S/C8H13NOS/c1-2-3-4-6-9-8(10)5-7-11-9/h5,7H,2-4,6H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247865
PNG
(CHEMBL450644 | Methyl 3-(3-oxoisothiazol-2(3H)-yl)...)
Show SMILES COC(=O)CCn1sccc1=O
Show InChI InChI=1S/C7H9NO3S/c1-11-7(10)2-4-8-6(9)3-5-12-8/h3,5H,2,4H2,1H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247866
PNG
(CHEMBL491669 | Methyl 4-(3-oxoisothiazol-2(3H)-yl)...)
Show SMILES COC(=O)CCCn1sccc1=O
Show InChI InChI=1S/C8H11NO3S/c1-12-8(11)3-2-5-9-7(10)4-6-13-9/h4,6H,2-3,5H2,1H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247867
PNG
(CHEMBL500338 | methyl 6-(3-oxoisothiazol-2(3H)-yl)...)
Show SMILES COC(=O)CCCCCn1sccc1=O
Show InChI InChI=1S/C10H15NO3S/c1-14-10(13)5-3-2-4-7-11-9(12)6-8-15-11/h6,8H,2-5,7H2,1H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50247870
PNG
(CHEMBL491670 | Methyl 3-[(5-chloroisothiazol-3-yl)...)
Show SMILES COC(=O)CCNc1cc(Cl)sn1
Show InChI InChI=1S/C7H9ClN2O2S/c1-12-7(11)2-3-9-6-4-5(8)13-10-6/h4H,2-3H2,1H3,(H,9,10)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HAT PCAF


Bioorg Med Chem 17: 460-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.008
BindingDB Entry DOI: 10.7270/Q2BC3ZDM
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50300415
PNG
(CHEMBL575673 | Methyl 3-[4-chloro-5-(dodecylthio)-...)
Show SMILES CCCCCCCCCCCCSc1c(Cl)c(=O)n(CCC(=O)OC)s1=O
Show InChI InChI=1S/C19H32ClNO4S2/c1-3-4-5-6-7-8-9-10-11-12-15-26-19-17(20)18(23)21(27(19)24)14-13-16(22)25-2/h3-15H2,1-2H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50300416
PNG
(CHEMBL574815 | Methyl 3-[5-(dodecylthio)-1-oxido-3...)
Show SMILES CCCCCCCCCCCCSc1cc(=O)n(CCC(=O)OC)s1=O
Show InChI InChI=1S/C19H33NO4S2/c1-3-4-5-6-7-8-9-10-11-12-15-25-19-16-17(21)20(26(19)23)14-13-18(22)24-2/h16H,3-15H2,1-2H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2B


(Homo sapiens (Human))
BDBM50300417
PNG
(2-Tert-butyl-5-(dodecylthio)isothiazol-3(2H)-one-1...)
Show SMILES CCCCCCCCCCCCSc1cc(=O)n(s1=O)C(C)(C)C
Show InChI InChI=1S/C19H35NO2S2/c1-5-6-7-8-9-10-11-12-13-14-15-23-18-16-17(21)20(24(18)22)19(2,3)4/h16H,5-15H2,1-4H3
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay


Eur J Med Chem 44: 4855-61 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.025
BindingDB Entry DOI: 10.7270/Q2XD11RS
More data for this
Ligand-Target Pair
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