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PubMed code 11206439

Compile data set for download or QSAR
Found 51 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
Histone deacetylase


(Cryptosporidium parvum)		BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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 8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366737
PNG
(CHEMBL1793971)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1O
Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)23-19-34-24-15-10-9-14-22(24)29(23)40/h9-10,14-15,19-20,25-28H,4-8,11-13,16-18H2,1-3H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t20-,25-,26+,27-,28-/m0/s1
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 10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366726
PNG
(CHEMBL1793982)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1N1CCCCC1
Show InChI InChI=1S/C38H54N6O5/c1-4-25(3)32-38(49)44-23-15-12-20-31(44)36(47)40-30(19-9-6-8-16-26(45)5-2)35(46)42-33(37(48)41-32)28-24-39-29-18-11-10-17-27(29)34(28)43-21-13-7-14-22-43/h10-11,17-18,24-25,30-33H,4-9,12-16,19-23H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)/t25-,30-,31+,32-,33+/m0/s1
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 20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366733
PNG
(CHEMBL1793973)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(OC)c2ccccc2c1=O
Show InChI InChI=1S/C34H47N5O7/c1-5-21(3)28-34(45)38-19-13-12-18-27(38)32(43)35-25(16-9-7-8-14-22(40)6-2)31(42)37-29(33(44)36-28)24-20-39(46-4)26-17-11-10-15-23(26)30(24)41/h10-11,15,17,20-21,25,27-29H,5-9,12-14,16,18-19H2,1-4H3,(H,35,43)(H,36,44)(H,37,42)/t21-,25-,27+,28-,29-/m0/s1
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 30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366749
PNG
(CHEMBL1793983)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1Cl
Show InChI InChI=1S/C33H44ClN5O5/c1-4-20(3)28-33(44)39-18-12-11-17-26(39)31(42)36-25(16-8-6-7-13-21(40)5-2)30(41)38-29(32(43)37-28)23-19-35-24-15-10-9-14-22(24)27(23)34/h9-10,14-15,19-20,25-26,28-29H,4-8,11-13,16-18H2,1-3H3,(H,36,42)(H,37,43)(H,38,41)/t20-,25-,26+,28-,29+/m0/s1
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 50n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366736
PNG
(CHEMBL1793972)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O
Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1
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 70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366727
PNG
(CHEMBL1793981)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)C(C)(C)C)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19-,21-,22-,23+,25-/m0/s1
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 100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366729
PNG
(CHEMBL1793969)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21-,24-,25+,27-,28+/m0/s1
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 200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366752
PNG
(CHEMBL1793970)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1O
Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)23-19-34-24-15-10-9-14-22(24)29(23)40/h9-10,14-15,19-20,25-28H,4-8,11-13,16-18H2,1-3H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t20-,25-,26+,27-,28+/m0/s1
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 250n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366728
PNG
(CHEMBL1793978)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C33H48N4O6/c1-4-22(3)29-33(43)37-19-13-12-18-28(37)32(42)34-26(17-11-7-10-16-24(38)5-2)30(40)35-27(31(41)36-29)21-25(39)20-23-14-8-6-9-15-23/h6,8-9,14-15,22,26-29H,4-5,7,10-13,16-21H2,1-3H3,(H,34,42)(H,35,40)(H,36,41)/t22-,26-,27-,28+,29-/m0/s1
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 400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366750
PNG
(CHEMBL1793987)
Show SMILES CCCCCCCCCCC(=O)C[C@@H]1NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC1=O)[C@@H](C)CC
Show InChI InChI=1S/C36H62N4O6/c1-5-8-9-10-11-12-13-15-21-28(42)25-30-34(44)39-32(26(4)6-2)36(46)40-24-19-18-23-31(40)35(45)37-29(33(43)38-30)22-17-14-16-20-27(41)7-3/h26,29-32H,5-25H2,1-4H3,(H,37,45)(H,38,43)(H,39,44)/t26-,29-,30-,31+,32-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50218940
PNG
(CHEMBL1793991)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(CN3CCCC3)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(=O)CC)NC(=O)[C@@]2([H])CCCCN2C1=O
Show InChI InChI=1S/C38H56N6O5/c1-4-26(3)34-38(49)44-22-12-11-19-33(44)37(48)39-30(17-8-6-7-15-28(45)5-2)35(46)40-31(36(47)41-34)23-27-24-43(25-42-20-13-14-21-42)32-18-10-9-16-29(27)32/h9-10,16,18,24,26,30-31,33-34H,4-8,11-15,17,19-23,25H2,1-3H3,(H,39,48)(H,40,46)(H,41,47)/t26-,30-,31-,33+,34-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366738
PNG
(CHEMBL1793985)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c([nH]c3ccccc23)-c2cc(OC)cc(OC)c2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N5O7/c1-6-25(3)36-41(51)46-20-14-13-19-35(46)40(50)43-33(18-10-8-9-15-27(47)7-2)38(48)44-34(39(49)45-36)24-31-30-16-11-12-17-32(30)42-37(31)26-21-28(52-4)23-29(22-26)53-5/h11-12,16-17,21-23,25,33-36,42H,6-10,13-15,18-20,24H2,1-5H3,(H,43,50)(H,44,48)(H,45,49)/t25-,33-,34-,35+,36-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366738
PNG
(CHEMBL1793985)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c([nH]c3ccccc23)-c2cc(OC)cc(OC)c2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C41H55N5O7/c1-6-25(3)36-41(51)46-20-14-13-19-35(46)40(50)43-33(18-10-8-9-15-27(47)7-2)38(48)44-34(39(49)45-36)24-31-30-16-11-12-17-32(30)42-37(31)26-21-28(52-4)23-29(22-26)53-5/h11-12,16-17,21-23,25,33-36,42H,6-10,13-15,18-20,24H2,1-5H3,(H,43,50)(H,44,48)(H,45,49)/t25-,33-,34-,35+,36-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366726
PNG
(CHEMBL1793982)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1N1CCCCC1
Show InChI InChI=1S/C38H54N6O5/c1-4-25(3)32-38(49)44-23-15-12-20-31(44)36(47)40-30(19-9-6-8-16-26(45)5-2)35(46)42-33(37(48)41-32)28-24-39-29-18-11-10-17-27(29)34(28)43-21-13-7-14-22-43/h10-11,17-18,24-25,30-33H,4-9,12-16,19-23H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)/t25-,30-,31+,32-,33+/m0/s1
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Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366745
PNG
(CHEMBL1793989)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C33H47N5O5/c1-4-21(3)29-33(43)38-18-12-11-17-28(38)32(42)35-26(16-8-6-7-13-23(39)5-2)30(40)36-27(31(41)37-29)19-22-20-34-25-15-10-9-14-24(22)25/h9-10,14-15,20-21,26-29,34H,4-8,11-13,16-19H2,1-3H3,(H,35,42)(H,36,40)(H,37,41)/t21-,26-,27-,28+,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50218931
PNG
(CHEMBL1793992)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2cn(CCN)c3ccccc23)NC(=O)[C@]([H])(CCCCCC(=O)CC)NC(=O)[C@@]2([H])CCCCN2C1=O
Show InChI InChI=1S/C35H52N6O5/c1-4-23(3)31-35(46)41-19-12-11-17-30(41)34(45)37-27(15-8-6-7-13-25(42)5-2)32(43)38-28(33(44)39-31)21-24-22-40(20-18-36)29-16-10-9-14-26(24)29/h9-10,14,16,22-23,27-28,30-31H,4-8,11-13,15,17-21,36H2,1-3H3,(H,37,45)(H,38,43)(H,39,44)/t23-,27-,28-,30+,31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366745
PNG
(CHEMBL1793989)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C33H47N5O5/c1-4-21(3)29-33(43)38-18-12-11-17-28(38)32(42)35-26(16-8-6-7-13-23(39)5-2)30(40)36-27(31(41)37-29)19-22-20-34-25-15-10-9-14-24(22)25/h9-10,14-15,20-21,26-29,34H,4-8,11-13,16-19H2,1-3H3,(H,35,42)(H,36,40)(H,37,41)/t21-,26-,27-,28+,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366749
PNG
(CHEMBL1793983)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1Cl
Show InChI InChI=1S/C33H44ClN5O5/c1-4-20(3)28-33(44)39-18-12-11-17-26(39)31(42)36-25(16-8-6-7-13-21(40)5-2)30(41)38-29(32(43)37-28)23-19-35-24-15-10-9-14-22(24)27(23)34/h9-10,14-15,19-20,25-26,28-29H,4-8,11-13,16-18H2,1-3H3,(H,36,42)(H,37,43)(H,38,41)/t20-,25-,26+,28-,29+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366741
PNG
(CHEMBL1793974)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCOc2ccccc2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C32H48N4O6/c1-4-22(3)28-32(41)36-20-13-12-18-27(36)31(40)34-25(17-11-6-8-14-23(37)5-2)29(38)33-26(30(39)35-28)19-21-42-24-15-9-7-10-16-24/h7,9-10,15-16,22,25-28H,4-6,8,11-14,17-21H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)/t22-,25-,26-,27+,28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50218958
PNG
(CHEMBL1793984)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@]([H])(Cc2c([nH]c3ccccc23)-c2ccccc2)NC(=O)[C@]([H])(CCCCCC(=O)CC)NC(=O)[C@@]2([H])CCCCN2C1=O
Show InChI InChI=1S/C39H51N5O5/c1-4-25(3)34-39(49)44-23-15-14-22-33(44)38(48)41-31(21-11-7-10-18-27(45)5-2)36(46)42-32(37(47)43-34)24-29-28-19-12-13-20-30(28)40-35(29)26-16-8-6-9-17-26/h6,8-9,12-13,16-17,19-20,25,31-34,40H,4-5,7,10-11,14-15,18,21-24H2,1-3H3,(H,41,48)(H,42,46)(H,43,47)/t25-,31-,32-,33+,34-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366733
PNG
(CHEMBL1793973)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(OC)c2ccccc2c1=O
Show InChI InChI=1S/C34H47N5O7/c1-5-21(3)28-34(45)38-19-13-12-18-27(38)32(43)35-25(16-9-7-8-14-22(40)6-2)31(42)37-29(33(44)36-28)24-20-39(46-4)26-17-11-10-15-23(26)30(24)41/h10-11,15,17,20-21,25,27-29H,5-9,12-14,16,18-19H2,1-4H3,(H,35,43)(H,36,44)(H,37,42)/t21-,25-,27+,28-,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366731
PNG
(CHEMBL1793990)
Show SMILES CCCn1cc(C(O)c2nc(O)c(CCCCCC(=O)CC)[nH]c(O)c3CCCCn3c(O)c([nH]c2=O)[C@@H](C)CC)c2ccccc12
Show InChI InChI=1S/C36H51N5O6/c1-5-20-40-22-26(25-16-11-12-18-28(25)40)32(43)31-35(46)38-30(23(4)6-2)36(47)41-21-14-13-19-29(41)34(45)37-27(33(44)39-31)17-10-8-9-15-24(42)7-3/h11-12,16,18,22-23,32,37,43-45,47H,5-10,13-15,17,19-21H2,1-4H3,(H,38,46)/b33-27+,34-29+,36-30+,39-31?/t23-,32?/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366739
PNG
(CHEMBL1793994)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H49N5O5/c1-5-22(3)30-34(44)39-19-13-12-18-29(39)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-38(4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50218957
PNG
(CHEMBL1793967)
Show SMILES [H][C@](C)(CC)[C@]1([H])NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CCCCCC(=O)CC)NC(=O)[C@@]2([H])CCCCN2C1=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)29(40)23-19-34-24-15-10-9-14-22(23)24/h9-10,14-15,19-20,25-28,34H,4-8,11-13,16-18H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t20-,25-,26+,27-,28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366736
PNG
(CHEMBL1793972)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O
Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366726
PNG
(CHEMBL1793982)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1N1CCCCC1
Show InChI InChI=1S/C38H54N6O5/c1-4-25(3)32-38(49)44-23-15-12-20-31(44)36(47)40-30(19-9-6-8-16-26(45)5-2)35(46)42-33(37(48)41-32)28-24-39-29-18-11-10-17-27(29)34(28)43-21-13-7-14-22-43/h10-11,17-18,24-25,30-33H,4-9,12-16,19-23H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)/t25-,30-,31+,32-,33+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366731
PNG
(CHEMBL1793990)
Show SMILES CCCn1cc(C(O)c2nc(O)c(CCCCCC(=O)CC)[nH]c(O)c3CCCCn3c(O)c([nH]c2=O)[C@@H](C)CC)c2ccccc12
Show InChI InChI=1S/C36H51N5O6/c1-5-20-40-22-26(25-16-11-12-18-28(25)40)32(43)31-35(46)38-30(23(4)6-2)36(47)41-21-14-13-19-29(41)34(45)37-27(33(44)39-31)17-10-8-9-15-24(42)7-3/h11-12,16,18,22-23,32,37,43-45,47H,5-10,13-15,17,19-21H2,1-4H3,(H,38,46)/b33-27+,34-29+,36-30+,39-31?/t23-,32?/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366729
PNG
(CHEMBL1793969)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21-,24-,25+,27-,28+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366734
PNG
(CHEMBL1793967 | CHEMBL1793980)
Show SMILES CC[C@H](C)c1[nH]c(=O)c(nc(O)c(CCCCCC(=O)CC)[nH]c(O)c2CCCCn2c1O)C(O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)29(40)23-19-34-24-15-10-9-14-22(23)24/h9-10,14-15,19-20,29,34-35,40-42,44H,4-8,11-13,16-18H2,1-3H3,(H,36,43)/b30-25+,31-26+,33-27+,37-28?/t20-,29?/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366746
PNG
(CHEMBL1793976)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c([nH]c3ccccc23)-c2ccc3n(C)ccc3c2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C42H54N6O5/c1-5-26(3)37-42(53)48-22-13-12-18-36(48)41(52)44-33(17-9-7-8-14-29(49)6-2)39(50)45-34(40(51)46-37)25-31-30-15-10-11-16-32(30)43-38(31)28-19-20-35-27(24-28)21-23-47(35)4/h10-11,15-16,19-21,23-24,26,33-34,36-37,43H,5-9,12-14,17-18,22,25H2,1-4H3,(H,44,52)(H,45,50)(H,46,51)/t26-,33-,34-,36+,37-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366732
PNG
(CHEMBL1793979)
Show SMILES CC[C@H](C)c1[nH]c(=O)c(nc(O)c(CCCCCC(=O)CC)[nH]c(O)c2CCCCn2c1O)C(O)c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C34H47N5O6/c1-5-21(3)28-34(45)39-18-11-10-14-27(39)32(43)35-25(13-9-7-8-12-24(40)6-2)31(42)37-29(33(44)36-28)30(41)23-15-16-26-22(20-23)17-19-38(26)4/h15-17,19-21,30,35,41-43,45H,5-14,18H2,1-4H3,(H,36,44)/b31-25+,32-27+,34-28+,37-29?/t21-,30?/m0/s1
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Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366743
PNG
(CHEMBL1793968)
Show SMILES CC[C@H](C)c1[nH]c(=O)c(CC(O)c2ccccc2[N+]([O-])=O)nc(O)c(CCCCCC(=O)CC)[nH]c(O)c2CCCCn2c1O
Show InChI InChI=1S/C32H45N5O8/c1-4-20(3)28-32(43)36-18-12-11-17-26(36)31(42)33-23(15-8-6-7-13-21(38)5-2)29(40)34-24(30(41)35-28)19-27(39)22-14-9-10-16-25(22)37(44)45/h9-10,14,16,20,27,33,39-40,42-43H,4-8,11-13,15,17-19H2,1-3H3,(H,35,41)/b29-23+,31-26+,32-28+,34-24?/t20-,27?/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366741
PNG
(CHEMBL1793974)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCOc2ccccc2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C32H48N4O6/c1-4-22(3)28-32(41)36-20-13-12-18-27(36)31(40)34-25(17-11-6-8-14-23(37)5-2)29(38)33-26(30(39)35-28)19-21-42-24-15-9-7-10-16-24/h7,9-10,15-16,22,25-28H,4-6,8,11-14,17-21H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)/t22-,25-,26-,27+,28-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366727
PNG
(CHEMBL1793981)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)C(C)(C)C)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19-,21-,22-,23+,25-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366728
PNG
(CHEMBL1793978)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C33H48N4O6/c1-4-22(3)29-33(43)37-19-13-12-18-28(37)32(42)34-26(17-11-7-10-16-24(38)5-2)30(40)35-27(31(41)36-29)21-25(39)20-23-14-8-6-9-15-23/h6,8-9,14-15,22,26-29H,4-5,7,10-13,16-21H2,1-3H3,(H,34,42)(H,35,40)(H,36,41)/t22-,26-,27-,28+,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366749
PNG
(CHEMBL1793983)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1Cl
Show InChI InChI=1S/C33H44ClN5O5/c1-4-20(3)28-33(44)39-18-12-11-17-26(39)31(42)36-25(16-8-6-7-13-21(40)5-2)30(41)38-29(32(43)37-28)23-19-35-24-15-10-9-14-22(24)27(23)34/h9-10,14-15,19-20,25-26,28-29H,4-8,11-13,16-18H2,1-3H3,(H,36,42)(H,37,43)(H,38,41)/t20-,25-,26+,28-,29+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366733
PNG
(CHEMBL1793973)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(OC)c2ccccc2c1=O
Show InChI InChI=1S/C34H47N5O7/c1-5-21(3)28-34(45)38-19-13-12-18-27(38)32(43)35-25(16-9-7-8-14-22(40)6-2)31(42)37-29(33(44)36-28)24-20-39(46-4)26-17-11-10-15-23(26)30(24)41/h10-11,15,17,20-21,25,27-29H,5-9,12-14,16,18-19H2,1-4H3,(H,35,43)(H,36,44)(H,37,42)/t21-,25-,27+,28-,29-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366743
PNG
(CHEMBL1793968)
Show SMILES CC[C@H](C)c1[nH]c(=O)c(CC(O)c2ccccc2[N+]([O-])=O)nc(O)c(CCCCCC(=O)CC)[nH]c(O)c2CCCCn2c1O
Show InChI InChI=1S/C32H45N5O8/c1-4-20(3)28-32(43)36-18-12-11-17-26(36)31(42)33-23(15-8-6-7-13-21(38)5-2)29(40)34-24(30(41)35-28)19-27(39)22-14-9-10-16-25(22)37(44)45/h9-10,14,16,20,27,33,39-40,42-43H,4-8,11-13,15,17-19H2,1-3H3,(H,35,41)/b29-23+,31-26+,32-28+,34-24?/t20-,27?/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366751
PNG
(CHEMBL1793977)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(CC(O)=O)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C35H49N5O7/c1-4-22(3)31-35(47)40-18-12-11-17-29(40)34(46)36-26(15-8-6-7-13-24(41)5-2)32(44)37-27(33(45)38-31)19-23-20-39(21-30(42)43)28-16-10-9-14-25(23)28/h9-10,14,16,20,22,26-27,29,31H,4-8,11-13,15,17-19,21H2,1-3H3,(H,36,46)(H,37,44)(H,38,45)(H,42,43)/t22-,26-,27-,29+,31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366735
PNG
(CHEMBL1793993)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(CC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C35H51N5O5/c1-5-23(4)31-35(45)40-20-14-13-19-30(40)34(44)36-27(17-10-8-9-15-25(41)6-2)32(42)37-28(33(43)38-31)21-24-22-39(7-3)29-18-12-11-16-26(24)29/h11-12,16,18,22-23,27-28,30-31H,5-10,13-15,17,19-21H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t23-,27-,28-,30+,31-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366744
PNG
(CHEMBL1793988)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccc(Br)cc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H48BrN5O6/c1-5-21(3)30-34(45)39-17-11-10-14-29(39)33(44)36-26(13-9-7-8-12-24(41)6-2)31(42)37-27(32(43)38-30)18-22-20-40(46-4)28-16-15-23(35)19-25(22)28/h15-16,19-21,26-27,29-30H,5-14,17-18H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t21-,26-,27-,29+,30-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366747
PNG
(CHEMBL1793975)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C33H46BrN5O5/c1-4-20(3)28-33(44)39-18-12-11-17-27(39)32(43)36-25(16-8-6-7-13-21(40)5-2)30(41)37-26(31(42)38-28)19-23-22-14-9-10-15-24(22)35-29(23)34/h9-10,14-15,20,25-28,35H,4-8,11-13,16-19H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)/t20-,25-,26-,27+,28-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366729
PNG
(CHEMBL1793969)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21-,24-,25+,27-,28+/m0/s1
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Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366736
PNG
(CHEMBL1793972)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O
Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366728
PNG
(CHEMBL1793978)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C33H48N4O6/c1-4-22(3)29-33(43)37-19-13-12-18-28(37)32(42)34-26(17-11-7-10-16-24(38)5-2)30(40)35-27(31(41)36-29)21-25(39)20-23-14-8-6-9-15-23/h6,8-9,14-15,22,26-29H,4-5,7,10-13,16-21H2,1-3H3,(H,34,42)(H,35,40)(H,36,41)/t22-,26-,27-,28+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 419n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM198122
PNG
(HC toxin)
Show SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13+,14-,15+,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50366727
PNG
(CHEMBL1793981)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)C(C)(C)C)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19-,21-,22-,23+,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 444n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]11 as radioligan...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
Histone deacetylase


(Cryptosporidium parvum)		BDBM50366730
PNG
(CHEMBL1793986)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CN(OC)c3ccc(Br)cc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H50BrN5O6/c1-5-21(3)30-34(45)39-17-11-10-14-29(39)33(44)36-26(13-9-7-8-12-24(41)6-2)31(42)37-27(32(43)38-30)18-22-20-40(46-4)28-16-15-23(35)19-25(22)28/h15-16,19,21-22,26-27,29-30H,5-14,17-18,20H2,1-4H3,(H,36,44)(H,37,42)(H,38,43)/t21-,22?,26-,27-,29+,30-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]11 as radioliga...

Bioorg Med Chem Lett 11: 113-7 (2001)


BindingDB Entry DOI: 10.7270/Q2M045ZB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%