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BDBM3151 2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzene)amido]piperidin-4-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid::Balanol analog 3::CHEMBL67442

SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1

InChI Key: InChIKey=CLQHLBAJBOQPRR-DYESRHJHSA-N

Data: 18 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 3151   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 5.10E+3n/an/an/an/a7.530



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2VH5M1B
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 4.70E+3n/an/an/an/a7.530



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2VH5M1B
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 2.20E+3n/an/an/an/a7.530



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2VH5M1B
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2VH5M1B
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2VH5M1B
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2VH5M1B
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2VH5M1B
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C alpha isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C epsilon isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C zeta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 1 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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PubMed
n/an/a 50n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C delta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C gamma isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3151
PNG
(2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C27H24N2O10/c30-15-6-4-13(5-7-15)25(35)29-17-12-28-9-8-21(17)39-27(38)14-10-19(32)23(20(33)11-14)24(34)22-16(26(36)37)2-1-3-18(22)31/h1-7,10-11,17,21,28,30-33H,8-9,12H2,(H,29,35)(H,36,37)/t17-,21-/m1/s1
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Article
n/an/a 2.20E+3n/an/an/an/a7.530



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


Bioorg Med Chem Lett 5: 2151-4 (1995)


Article DOI: 10.1016/0960-894X(95)00365-Z
BindingDB Entry DOI: 10.7270/Q2VH5M1B
More data for this
Ligand-Target Pair