Found 16 hits of ic50 for UniProtKB: P53686 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50178766
(2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18) | PDB
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| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50304357
(4-(4-ethylphenoxy)-butyric acid 6-oxo-6H-benzo[c]c...)Show SMILES CCc1ccc(OCCCC(O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1 Show InChI InChI=1S/C25H24O5/c1-2-17-9-11-18(12-10-17)28-15-5-8-24(26)29-19-13-14-21-20-6-3-4-7-22(20)25(27)30-23(21)16-19/h3-4,6-7,9-14,16,24,26H,2,5,8,15H2,1H3 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50304355
(3,4,6-trichloro-2-(2,5-dichloro-6-hydroxy-3-methyl...)Show InChI InChI=1S/C14H9Cl5O2/c1-5-2-9(16)13(20)6(11(5)18)3-7-12(19)8(15)4-10(17)14(7)21/h2,4,20-21H,3H2,1H3 | PDB
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| CHEMBL
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| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50304356
(2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...)Show InChI InChI=1S/C15H18N2O/c1-9-6-7-13-12(8-9)10-4-2-3-5-11(15(16)18)14(10)17-13/h6-8,11,17H,2-5H2,1H3,(H2,16,18) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50304354
(3-(1-Oxo-1,3-dihydro-isoindol-2-yl)-propionic acid...)Show InChI InChI=1S/C11H11NO3/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14) | PDB
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| Article
PubMed
| n/a | n/a | 1.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50304354
(3-(1-Oxo-1,3-dihydro-isoindol-2-yl)-propionic acid...)Show InChI InChI=1S/C11H11NO3/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)11(12)15/h1-4H,5-7H2,(H,13,14) | PDB
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| n/a | n/a | 1.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB
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| Article
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50156760
((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...)Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+ | PDB
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| n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM27507
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM99917
(4-tert-butyl-N-(4-(5-(dimethylamino)pentanamido)ph...)Show SMILES CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32)/p+1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50304351
(6-methoxy-1-(3-methoxy-prop-1-ynyl)-2-methyl-1,2,3...)Show InChI InChI=1S/C15H19NO3/c1-16-7-6-11-9-15(19-3)14(17)10-12(11)13(16)5-4-8-18-2/h9-10,13,17H,6-8H2,1-3H3 | PDB
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| CHEMBL
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PubMed
| n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50336799
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80) | PDB
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| n/a | n/a | 2.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50304352
(6-methoxy-2-(4-methoxy-benzyl)-1-(3-methoxy-prop-1...)Show InChI InChI=1S/C22H25NO4/c1-25-12-4-5-20-19-14-21(24)22(27-3)13-17(19)10-11-23(20)15-16-6-8-18(26-2)9-7-16/h6-9,13-14,20,24H,10-12,15H2,1-3H3 | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM29590
(1,2-Dihydro-3H-naphtho[2,1-b]pyran-3-one | CHEMBL8...)Show InChI InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2 | PDB
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| n/a | n/a | >6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM50378583
(SURFACTIN)Show SMILES CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 |r| Show InChI InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1 | PDB
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| n/a | n/a | >7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacetylase HST2
(Saccharomyces cerevisiae) | BDBM29040
(cambinol)Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26) | PDB
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Inhibition of yeast Hst2 by fluorimetric assay |
Bioorg Med Chem 17: 7031-41 (2009)
Article DOI: 10.1016/j.bmc.2009.07.073
BindingDB Entry DOI: 10.7270/Q21V5FWG |
More data for this
Ligand-Target Pair | |
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