Found 102 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094049
(CHEMBL3585965)Show SMILES ONC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(137(227)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164)191-129(219)94(50-56-116(205)206)178-121(211)87(35-18-22-59-151)173-122(212)89(38-25-62-166-147(159)160)174-125(215)91(46-52-111(155)200)177-127(217)93(48-54-113(157)202)181-141(231)119(82(6)7)192-130(220)90(39-26-63-167-148(161)162)175-126(216)92(47-53-112(156)201)179-134(224)102(72-85-74-165-79-169-85)188-128(218)95(51-57-117(207)208)180-139(229)108-42-29-66-194(108)144(234)105(77-199)190-132(222)100(70-81(4)5)186-133(223)101(71-84-32-14-13-15-33-84)187-136(226)104(76-198)189-135(225)103(75-197)171-115(204)73-154/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,227)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,225)(H,190,222)(H,191,219)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094054
(CHEMBL3585968)Show InChI InChI=1S/C152H255N47O42/c1-9-10-11-12-13-14-15-19-48-121(212)241-81-109(194-138(228)106(78-200)174-118(207)76-157)140(230)190-104(74-87-35-17-16-18-36-87)136(226)189-103(73-84(4)5)135(225)193-108(80-202)147(237)197-69-32-45-111(197)142(232)183-98(54-60-120(210)211)131(221)191-105(75-88-77-168-82-172-88)137(227)182-95(50-56-115(159)204)129(219)178-93(42-29-66-170-151(164)165)133(223)195-122(85(6)7)144(234)184-96(51-57-116(160)205)130(220)180-94(49-55-114(158)203)128(218)177-92(41-28-65-169-150(162)163)125(215)176-90(38-21-25-62-154)124(214)181-97(53-59-119(208)209)132(222)192-107(79-201)139(229)179-91(39-22-26-63-155)126(216)185-99(40-23-27-64-156)145(235)199-71-34-47-113(199)148(238)198-70-33-44-110(198)141(231)173-86(8)123(213)175-89(37-20-24-61-153)127(217)188-102(72-83(2)3)134(224)186-100(52-58-117(161)206)146(236)196-68-31-46-112(196)143(233)187-101(149(239)240)43-30-67-171-152(166)167/h16-18,35-36,77,82-86,89-113,122,200-202H,9-15,19-34,37-76,78-81,153-157H2,1-8H3,(H2,158,203)(H2,159,204)(H2,160,205)(H2,161,206)(H,168,172)(H,173,231)(H,174,207)(H,175,213)(H,176,215)(H,177,218)(H,178,219)(H,179,229)(H,180,220)(H,181,214)(H,182,227)(H,183,232)(H,184,234)(H,185,216)(H,186,224)(H,187,233)(H,188,217)(H,189,226)(H,190,230)(H,191,221)(H,192,222)(H,193,225)(H,194,228)(H,195,223)(H,208,209)(H,210,211)(H,239,240)(H4,162,163,169)(H4,164,165,170)(H4,166,167,171)/t86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110?,111+,112?,113?,122-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094053
(CHEMBL3585967)Show InChI InChI=1S/C148H248N48O42/c1-79(2)68-98(130(221)183-96(47-53-113(158)203)142(233)193-64-26-41-108(193)139(230)184-97(145(236)237)38-25-63-168-148(163)164)185-123(214)85(32-14-19-57-150)172-119(210)82(7)170-137(228)106-39-28-66-195(106)144(235)109-42-29-67-196(109)141(232)95(35-17-22-60-153)182-122(213)87(34-16-21-59-152)176-135(226)103(75-198)189-128(219)93(48-54-115(205)206)178-120(211)86(33-15-20-58-151)173-121(212)88(36-23-61-166-146(159)160)174-124(215)90(44-50-110(155)200)177-126(217)92(46-52-112(157)202)181-140(231)118(81(5)6)192-129(220)89(37-24-62-167-147(161)162)175-125(216)91(45-51-111(156)201)179-133(224)101(71-84-73-165-78-169-84)188-127(218)94(49-55-116(207)208)180-138(229)107-40-27-65-194(107)143(234)104(76-199)190-131(222)99(69-80(3)4)186-132(223)100(70-83-30-11-10-12-31-83)187-136(227)105(77-238-117(209)43-13-8-9-18-56-149)191-134(225)102(74-197)171-114(204)72-154/h10-12,30-31,73,78-82,85-109,118,197-199H,8-9,13-29,32-72,74-77,149-154H2,1-7H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106?,107+,108?,109?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094061
(CHEMBL3585970)Show InChI InChI=1S/C157H265N47O42/c1-9-10-11-12-13-14-15-16-17-18-19-20-24-53-126(217)246-86-114(199-143(233)111(83-205)179-123(212)81-162)145(235)195-109(79-92-40-22-21-23-41-92)141(231)194-108(78-89(4)5)140(230)198-113(85-207)152(242)202-74-37-50-116(202)147(237)188-103(59-65-125(215)216)136(226)196-110(80-93-82-173-87-177-93)142(232)187-100(55-61-120(164)209)134(224)183-98(47-34-71-175-156(169)170)138(228)200-127(90(6)7)149(239)189-101(56-62-121(165)210)135(225)185-99(54-60-119(163)208)133(223)182-97(46-33-70-174-155(167)168)130(220)181-95(43-26-30-67-159)129(219)186-102(58-64-124(213)214)137(227)197-112(84-206)144(234)184-96(44-27-31-68-160)131(221)190-104(45-28-32-69-161)150(240)204-76-39-52-118(204)153(243)203-75-38-49-115(203)146(236)178-91(8)128(218)180-94(42-25-29-66-158)132(222)193-107(77-88(2)3)139(229)191-105(57-63-122(166)211)151(241)201-73-36-51-117(201)148(238)192-106(154(244)245)48-35-72-176-157(171)172/h21-23,40-41,82,87-91,94-118,127,205-207H,9-20,24-39,42-81,83-86,158-162H2,1-8H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,173,177)(H,178,236)(H,179,212)(H,180,218)(H,181,220)(H,182,223)(H,183,224)(H,184,234)(H,185,225)(H,186,219)(H,187,232)(H,188,237)(H,189,239)(H,190,221)(H,191,229)(H,192,238)(H,193,222)(H,194,231)(H,195,235)(H,196,226)(H,197,227)(H,198,230)(H,199,233)(H,200,228)(H,213,214)(H,215,216)(H,244,245)(H4,167,168,174)(H4,169,170,175)(H4,171,172,176)/t91-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115?,116+,117?,118?,127-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094047
(CHEMBL3585964)Show InChI InChI=1S/C149H249N47O42/c1-10-30-84(31-11-2)146(237)238-77-106(191-134(224)103(74-197)171-115(204)72-154)136(226)187-101(70-83-32-13-12-14-33-83)132(222)186-100(69-80(5)6)131(221)190-105(76-199)143(233)194-65-27-42-108(194)138(228)180-95(50-56-117(207)208)127(217)188-102(71-85-73-165-78-169-85)133(223)179-92(46-52-112(156)201)125(215)175-90(39-24-62-167-148(161)162)129(219)192-118(81(7)8)140(230)181-93(47-53-113(157)202)126(216)177-91(45-51-111(155)200)124(214)174-89(38-23-61-166-147(159)160)121(211)173-87(35-16-20-58-151)120(210)178-94(49-55-116(205)206)128(218)189-104(75-198)135(225)176-88(36-17-21-59-152)122(212)182-96(37-18-22-60-153)141(231)196-67-29-44-110(196)144(234)195-66-28-41-107(195)137(227)170-82(9)119(209)172-86(34-15-19-57-150)123(213)185-99(68-79(3)4)130(220)183-97(48-54-114(158)203)142(232)193-64-26-43-109(193)139(229)184-98(145(235)236)40-25-63-168-149(163)164/h12-14,32-33,73,78-82,84,86-110,118,197-199H,10-11,15-31,34-72,74-77,150-154H2,1-9H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,227)(H,171,204)(H,172,209)(H,173,211)(H,174,214)(H,175,215)(H,176,225)(H,177,216)(H,178,210)(H,179,223)(H,180,228)(H,181,230)(H,182,212)(H,183,220)(H,184,229)(H,185,213)(H,186,222)(H,187,226)(H,188,217)(H,189,218)(H,190,221)(H,191,224)(H,192,219)(H,205,206)(H,207,208)(H,235,236)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094059
(CHEMBL3585969)Show InChI InChI=1S/C141H235N47O41/c1-73(2)62-92(123(213)175-90(42-48-107(150)196)135(225)185-58-22-37-102(185)132(222)176-91(138(228)229)34-21-57-160-141(155)156)177-116(206)79(28-11-15-51-142)164-112(202)76(7)162-130(220)100-35-24-60-187(100)137(227)103-38-25-61-188(103)134(224)89(31-14-18-54-145)174-115(205)81(30-13-17-53-144)168-128(218)97(69-190)181-121(211)87(43-49-109(198)199)170-113(203)80(29-12-16-52-143)165-114(204)82(32-19-55-158-139(151)152)166-117(207)84(39-45-104(147)193)169-119(209)86(41-47-106(149)195)173-133(223)111(75(5)6)184-122(212)83(33-20-56-159-140(153)154)167-118(208)85(40-46-105(148)194)171-126(216)95(65-78-67-157-72-161-78)180-120(210)88(44-50-110(200)201)172-131(221)101-36-23-59-186(101)136(226)99(71-192)183-124(214)93(63-74(3)4)178-125(215)94(64-77-26-9-8-10-27-77)179-129(219)98(70-191)182-127(217)96(68-189)163-108(197)66-146/h8-10,26-27,67,72-76,79-103,111,189-192H,11-25,28-66,68-71,142-146H2,1-7H3,(H2,147,193)(H2,148,194)(H2,149,195)(H2,150,196)(H,157,161)(H,162,220)(H,163,197)(H,164,202)(H,165,204)(H,166,207)(H,167,208)(H,168,218)(H,169,209)(H,170,203)(H,171,216)(H,172,221)(H,173,223)(H,174,205)(H,175,213)(H,176,222)(H,177,206)(H,178,215)(H,179,219)(H,180,210)(H,181,211)(H,182,217)(H,183,214)(H,184,212)(H,198,199)(H,200,201)(H,228,229)(H4,151,152,158)(H4,153,154,159)(H4,155,156,160)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100?,101+,102?,103?,111-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094049
(CHEMBL3585965)Show SMILES ONC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(137(227)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164)191-129(219)94(50-56-116(205)206)178-121(211)87(35-18-22-59-151)173-122(212)89(38-25-62-166-147(159)160)174-125(215)91(46-52-111(155)200)177-127(217)93(48-54-113(157)202)181-141(231)119(82(6)7)192-130(220)90(39-26-63-167-148(161)162)175-126(216)92(47-53-112(156)201)179-134(224)102(72-85-74-165-79-169-85)188-128(218)95(51-57-117(207)208)180-139(229)108-42-29-66-194(108)144(234)105(77-199)190-132(222)100(70-81(4)5)186-133(223)101(71-84-32-14-13-15-33-84)187-136(226)104(76-198)189-135(225)103(75-197)171-115(204)73-154/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,227)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,225)(H,190,222)(H,191,219)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094052
(CHEMBL3585966)Show SMILES ONC(=O)CCCCCCc1nc(no1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C148H246N48O43/c1-9-59-165-113(204)51-54-117(210)239-76-104(191-134(226)101(73-197)171-114(205)71-153)136(228)187-99(69-82-28-11-10-12-29-82)132(224)186-98(68-79(4)5)131(223)190-103(75-199)143(235)194-64-25-38-106(194)138(230)180-93(46-53-116(208)209)127(219)188-100(70-83-72-164-77-169-83)133(225)179-90(42-48-110(155)201)125(217)175-88(35-22-61-167-147(160)161)129(221)192-118(80(6)7)140(232)181-91(43-49-111(156)202)126(218)177-89(41-47-109(154)200)124(216)174-87(34-21-60-166-146(158)159)121(213)173-85(31-14-18-56-150)120(212)178-92(45-52-115(206)207)128(220)189-102(74-198)135(227)176-86(32-15-19-57-151)122(214)182-94(33-16-20-58-152)141(233)196-66-27-40-108(196)144(236)195-65-26-37-105(195)137(229)170-81(8)119(211)172-84(30-13-17-55-149)123(215)185-97(67-78(2)3)130(222)183-95(44-50-112(157)203)142(234)193-63-24-39-107(193)139(231)184-96(145(237)238)36-23-62-168-148(162)163/h10-12,28-29,72,77-81,84-108,118,197-199H,9,13-27,30-71,73-76,149-153H2,1-8H3,(H2,154,200)(H2,155,201)(H2,156,202)(H2,157,203)(H,164,169)(H,165,204)(H,170,229)(H,171,205)(H,172,211)(H,173,213)(H,174,216)(H,175,217)(H,176,227)(H,177,218)(H,178,212)(H,179,225)(H,180,230)(H,181,232)(H,182,214)(H,183,222)(H,184,231)(H,185,215)(H,186,224)(H,187,228)(H,188,219)(H,189,220)(H,190,223)(H,191,226)(H,192,221)(H,206,207)(H,208,209)(H,237,238)(H4,158,159,166)(H4,160,161,167)(H4,162,163,168)/t81-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105?,106+,107?,108?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094041
(CHEMBL3585958)Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(171-115(204)73-154)137(227)190-104(76-198)136(226)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)191-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-103(75-197)135(225)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,225)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,219)(H,190,227)(H,191,222)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094054
(CHEMBL3585968)Show InChI InChI=1S/C152H255N47O42/c1-9-10-11-12-13-14-15-19-48-121(212)241-81-109(194-138(228)106(78-200)174-118(207)76-157)140(230)190-104(74-87-35-17-16-18-36-87)136(226)189-103(73-84(4)5)135(225)193-108(80-202)147(237)197-69-32-45-111(197)142(232)183-98(54-60-120(210)211)131(221)191-105(75-88-77-168-82-172-88)137(227)182-95(50-56-115(159)204)129(219)178-93(42-29-66-170-151(164)165)133(223)195-122(85(6)7)144(234)184-96(51-57-116(160)205)130(220)180-94(49-55-114(158)203)128(218)177-92(41-28-65-169-150(162)163)125(215)176-90(38-21-25-62-154)124(214)181-97(53-59-119(208)209)132(222)192-107(79-201)139(229)179-91(39-22-26-63-155)126(216)185-99(40-23-27-64-156)145(235)199-71-34-47-113(199)148(238)198-70-33-44-110(198)141(231)173-86(8)123(213)175-89(37-20-24-61-153)127(217)188-102(72-83(2)3)134(224)186-100(52-58-117(161)206)146(236)196-68-31-46-112(196)143(233)187-101(149(239)240)43-30-67-171-152(166)167/h16-18,35-36,77,82-86,89-113,122,200-202H,9-15,19-34,37-76,78-81,153-157H2,1-8H3,(H2,158,203)(H2,159,204)(H2,160,205)(H2,161,206)(H,168,172)(H,173,231)(H,174,207)(H,175,213)(H,176,215)(H,177,218)(H,178,219)(H,179,229)(H,180,220)(H,181,214)(H,182,227)(H,183,232)(H,184,234)(H,185,216)(H,186,224)(H,187,233)(H,188,217)(H,189,226)(H,190,230)(H,191,221)(H,192,222)(H,193,225)(H,194,228)(H,195,223)(H,208,209)(H,210,211)(H,239,240)(H4,162,163,169)(H4,164,165,170)(H4,166,167,171)/t86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110?,111+,112?,113?,122-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094042
(CHEMBL3585959)Show InChI InChI=1S/C149H248BrN47O42/c1-80(2)69-99(131(222)184-97(48-54-114(159)204)143(234)194-65-27-42-109(194)140(231)185-98(146(237)238)39-26-64-169-149(164)165)186-124(215)86(33-15-20-58-151)173-120(211)83(7)171-138(229)107-40-29-67-196(107)145(236)110-43-30-68-197(110)142(233)96(36-18-23-61-154)183-123(214)88(35-17-22-60-153)177-136(227)104(76-199)190-129(220)94(49-55-116(206)207)179-121(212)87(34-16-21-59-152)174-122(213)89(37-24-62-167-147(160)161)175-125(216)91(45-51-111(156)201)178-127(218)93(47-53-113(158)203)182-141(232)119(82(5)6)193-130(221)90(38-25-63-168-148(162)163)176-126(217)92(46-52-112(157)202)180-134(225)102(72-85-74-166-79-170-85)189-128(219)95(50-56-117(208)209)181-139(230)108-41-28-66-195(108)144(235)105(77-200)191-132(223)100(70-81(3)4)187-133(224)101(71-84-31-12-11-13-32-84)188-137(228)106(192-135(226)103(75-198)172-115(205)73-155)78-239-118(210)44-14-9-8-10-19-57-150/h11-13,31-32,74,79-83,86-110,119,198-200H,8-10,14-30,33-73,75-78,151-155H2,1-7H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,204)(H,166,170)(H,171,229)(H,172,205)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,227)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,228)(H,189,219)(H,190,220)(H,191,223)(H,192,226)(H,193,221)(H,206,207)(H,208,209)(H,237,238)(H4,160,161,167)(H4,162,163,168)(H4,164,165,169)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094053
(CHEMBL3585967)Show InChI InChI=1S/C148H248N48O42/c1-79(2)68-98(130(221)183-96(47-53-113(158)203)142(233)193-64-26-41-108(193)139(230)184-97(145(236)237)38-25-63-168-148(163)164)185-123(214)85(32-14-19-57-150)172-119(210)82(7)170-137(228)106-39-28-66-195(106)144(235)109-42-29-67-196(109)141(232)95(35-17-22-60-153)182-122(213)87(34-16-21-59-152)176-135(226)103(75-198)189-128(219)93(48-54-115(205)206)178-120(211)86(33-15-20-58-151)173-121(212)88(36-23-61-166-146(159)160)174-124(215)90(44-50-110(155)200)177-126(217)92(46-52-112(157)202)181-140(231)118(81(5)6)192-129(220)89(37-24-62-167-147(161)162)175-125(216)91(45-51-111(156)201)179-133(224)101(71-84-73-165-78-169-84)188-127(218)94(49-55-116(207)208)180-138(229)107-40-27-65-194(107)143(234)104(76-199)190-131(222)99(69-80(3)4)186-132(223)100(70-83-30-11-10-12-31-83)187-136(227)105(77-238-117(209)43-13-8-9-18-56-149)191-134(225)102(74-197)171-114(204)72-154/h10-12,30-31,73,78-82,85-109,118,197-199H,8-9,13-29,32-72,74-77,149-154H2,1-7H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106?,107+,108?,109?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094046
(CHEMBL3585963)Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094061
(CHEMBL3585970)Show InChI InChI=1S/C157H265N47O42/c1-9-10-11-12-13-14-15-16-17-18-19-20-24-53-126(217)246-86-114(199-143(233)111(83-205)179-123(212)81-162)145(235)195-109(79-92-40-22-21-23-41-92)141(231)194-108(78-89(4)5)140(230)198-113(85-207)152(242)202-74-37-50-116(202)147(237)188-103(59-65-125(215)216)136(226)196-110(80-93-82-173-87-177-93)142(232)187-100(55-61-120(164)209)134(224)183-98(47-34-71-175-156(169)170)138(228)200-127(90(6)7)149(239)189-101(56-62-121(165)210)135(225)185-99(54-60-119(163)208)133(223)182-97(46-33-70-174-155(167)168)130(220)181-95(43-26-30-67-159)129(219)186-102(58-64-124(213)214)137(227)197-112(84-206)144(234)184-96(44-27-31-68-160)131(221)190-104(45-28-32-69-161)150(240)204-76-39-52-118(204)153(243)203-75-38-49-115(203)146(236)178-91(8)128(218)180-94(42-25-29-66-158)132(222)193-107(77-88(2)3)139(229)191-105(57-63-122(166)211)151(241)201-73-36-51-117(201)148(238)192-106(154(244)245)48-35-72-176-157(171)172/h21-23,40-41,82,87-91,94-118,127,205-207H,9-20,24-39,42-81,83-86,158-162H2,1-8H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,173,177)(H,178,236)(H,179,212)(H,180,218)(H,181,220)(H,182,223)(H,183,224)(H,184,234)(H,185,225)(H,186,219)(H,187,232)(H,188,237)(H,189,239)(H,190,221)(H,191,229)(H,192,238)(H,193,222)(H,194,231)(H,195,235)(H,196,226)(H,197,227)(H,198,230)(H,199,233)(H,200,228)(H,213,214)(H,215,216)(H,244,245)(H4,167,168,174)(H4,169,170,175)(H4,171,172,176)/t91-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115?,116+,117?,118?,127-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094219
(CHEMBL3585355)Show InChI InChI=1S/C25H30O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,14,18,21-24,26-27H,7,9,11-13,15H2,1H3/t18-,21?,22?,23?,24-,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 710 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094059
(CHEMBL3585969)Show InChI InChI=1S/C141H235N47O41/c1-73(2)62-92(123(213)175-90(42-48-107(150)196)135(225)185-58-22-37-102(185)132(222)176-91(138(228)229)34-21-57-160-141(155)156)177-116(206)79(28-11-15-51-142)164-112(202)76(7)162-130(220)100-35-24-60-187(100)137(227)103-38-25-61-188(103)134(224)89(31-14-18-54-145)174-115(205)81(30-13-17-53-144)168-128(218)97(69-190)181-121(211)87(43-49-109(198)199)170-113(203)80(29-12-16-52-143)165-114(204)82(32-19-55-158-139(151)152)166-117(207)84(39-45-104(147)193)169-119(209)86(41-47-106(149)195)173-133(223)111(75(5)6)184-122(212)83(33-20-56-159-140(153)154)167-118(208)85(40-46-105(148)194)171-126(216)95(65-78-67-157-72-161-78)180-120(210)88(44-50-110(200)201)172-131(221)101-36-23-59-186(101)136(226)99(71-192)183-124(214)93(63-74(3)4)178-125(215)94(64-77-26-9-8-10-27-77)179-129(219)98(70-191)182-127(217)96(68-189)163-108(197)66-146/h8-10,26-27,67,72-76,79-103,111,189-192H,11-25,28-66,68-71,142-146H2,1-7H3,(H2,147,193)(H2,148,194)(H2,149,195)(H2,150,196)(H,157,161)(H,162,220)(H,163,197)(H,164,202)(H,165,204)(H,166,207)(H,167,208)(H,168,218)(H,169,209)(H,170,203)(H,171,216)(H,172,221)(H,173,223)(H,174,205)(H,175,213)(H,176,222)(H,177,206)(H,178,215)(H,179,219)(H,180,210)(H,181,211)(H,182,217)(H,183,214)(H,184,212)(H,198,199)(H,200,201)(H,228,229)(H4,151,152,158)(H4,153,154,159)(H4,155,156,160)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100?,101+,102?,103?,111-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094211
(CHEMBL3585978)Show InChI InChI=1S/C26H28O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,12-14,16H2,1H3/t22?,23?,24?,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094213
(CHEMBL3585980)Show InChI InChI=1S/C16H17F3N2O2/c17-16(18,19)13(22)10-6-1-2-7-11-14-20-15(21-23-14)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094200
(CHEMBL3585977)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14?,15?,16?,17?,18?,19?,20?,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094221
(CHEMBL3585987)Show SMILES [O-][N+](=O)c1cccc(c1)-c1noc(CCCCCCC(=O)C(F)(F)F)n1 Show InChI InChI=1S/C24H28O2/c1-23-13-11-20-19-10-8-18(25)15-16(19)7-9-21(20)22(23)12-14-24(23,26)17-5-3-2-4-6-17/h2-6,8,10,15,20-22,25-26H,7,9,11-14H2,1H3/t20?,21?,22?,23-,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094195
(CHEMBL3585973)Show InChI InChI=1S/C21H23FN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094062
(CHEMBL3585971)Show SMILES COc1ccc(cc1)-c1noc(CCCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C149H250N48O41/c1-9-10-11-12-16-45-115(205)169-75-103(190-136(227)104(76-198)172-116(206)73-154)135(226)188-101(71-84-32-14-13-15-33-84)133(224)187-100(70-81(4)5)132(223)192-106(78-200)144(235)195-66-29-42-108(195)139(230)181-95(51-57-118(209)210)128(219)189-102(72-85-74-165-79-170-85)134(225)180-92(47-53-112(156)202)126(217)176-90(39-26-63-167-148(161)162)130(221)193-119(82(6)7)141(232)182-93(48-54-113(157)203)127(218)178-91(46-52-111(155)201)125(216)175-89(38-25-62-166-147(159)160)122(213)174-87(35-18-22-59-151)121(212)179-94(50-56-117(207)208)129(220)191-105(77-199)137(228)177-88(36-19-23-60-152)123(214)183-96(37-20-24-61-153)142(233)197-68-31-44-110(197)145(236)196-67-30-41-107(196)138(229)171-83(8)120(211)173-86(34-17-21-58-150)124(215)186-99(69-80(2)3)131(222)184-97(49-55-114(158)204)143(234)194-65-28-43-109(194)140(231)185-98(146(237)238)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,198-200H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,201)(H2,156,202)(H2,157,203)(H2,158,204)(H,165,170)(H,169,205)(H,171,229)(H,172,206)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,228)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,226)(H,189,219)(H,190,227)(H,191,220)(H,192,223)(H,193,221)(H,207,208)(H,209,210)(H,237,238)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094221
(CHEMBL3585987)Show SMILES [O-][N+](=O)c1cccc(c1)-c1noc(CCCCCCC(=O)C(F)(F)F)n1 Show InChI InChI=1S/C24H28O2/c1-23-13-11-20-19-10-8-18(25)15-16(19)7-9-21(20)22(23)12-14-24(23,26)17-5-3-2-4-6-17/h2-6,8,10,15,20-22,25-26H,7,9,11-14H2,1H3/t20?,21?,22?,23-,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094222
(CHEMBL3585988)Show InChI InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15?,16?,17?,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094216
(CHEMBL3585983)Show SMILES FC(F)(F)C(=O)CCCCCCc1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H38O2/c1-3-4-5-20-6-8-21(9-7-20)19-29(31)17-15-27-26-12-10-22-18-23(30)11-13-24(22)25(26)14-16-28(27,29)2/h6-9,11,13,18,25-27,30-31H,3-5,10,12,14-17,19H2,1-2H3/t25?,26?,27?,28-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094213
(CHEMBL3585980)Show InChI InChI=1S/C16H17F3N2O2/c17-16(18,19)13(22)10-6-1-2-7-11-14-20-15(21-23-14)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094212
(CHEMBL3585979)Show InChI InChI=1S/C25H29FO2/c1-24-11-9-21-20-8-6-19(27)14-17(20)5-7-22(21)23(24)10-12-25(24,28)15-16-3-2-4-18(26)13-16/h2-4,6,8,13-14,21-23,27-28H,5,7,9-12,15H2,1H3/t21?,22?,23?,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094045
(CHEMBL3585962)Show InChI InChI=1S/C153H251N47O42/c1-80(2)62-102(134(225)187-100(42-48-117(162)207)146(237)197-58-22-37-112(197)143(234)188-101(149(240)241)34-21-57-172-152(167)168)189-127(218)89(28-11-15-51-154)176-123(214)83(7)174-141(232)110-35-24-60-199(110)148(239)113-38-25-61-200(113)145(236)99(31-14-18-54-157)186-126(217)91(30-13-17-53-156)180-139(230)107(76-202)193-132(223)97(43-49-119(209)210)182-124(215)90(29-12-16-52-155)177-125(216)92(32-19-55-170-150(163)164)178-128(219)94(39-45-114(159)204)181-130(221)96(41-47-116(161)206)185-144(235)122(82(5)6)196-133(224)93(33-20-56-171-151(165)166)179-129(220)95(40-46-115(160)205)183-137(228)105(68-88-74-169-79-173-88)192-131(222)98(44-50-120(211)212)184-142(233)111-36-23-59-198(111)147(238)108(77-203)194-135(226)103(63-81(3)4)190-136(227)104(67-84-26-9-8-10-27-84)191-140(231)109(195-138(229)106(75-201)175-118(208)73-158)78-242-121(213)72-153-69-85-64-86(70-153)66-87(65-85)71-153/h8-10,26-27,74,79-83,85-87,89-113,122,201-203H,11-25,28-73,75-78,154-158H2,1-7H3,(H2,159,204)(H2,160,205)(H2,161,206)(H2,162,207)(H,169,173)(H,174,232)(H,175,208)(H,176,214)(H,177,216)(H,178,219)(H,179,220)(H,180,230)(H,181,221)(H,182,215)(H,183,228)(H,184,233)(H,185,235)(H,186,217)(H,187,225)(H,188,234)(H,189,218)(H,190,227)(H,191,231)(H,192,222)(H,193,223)(H,194,226)(H,195,229)(H,196,224)(H,209,210)(H,211,212)(H,240,241)(H4,163,164,170)(H4,165,166,171)(H4,167,168,172)/t83-,85-,86+,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110?,111+,112?,113?,122-,153?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094041
(CHEMBL3585958)Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(171-115(204)73-154)137(227)190-104(76-198)136(226)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)191-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-103(75-197)135(225)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,225)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,219)(H,190,227)(H,191,222)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094047
(CHEMBL3585964)Show InChI InChI=1S/C149H249N47O42/c1-10-30-84(31-11-2)146(237)238-77-106(191-134(224)103(74-197)171-115(204)72-154)136(226)187-101(70-83-32-13-12-14-33-83)132(222)186-100(69-80(5)6)131(221)190-105(76-199)143(233)194-65-27-42-108(194)138(228)180-95(50-56-117(207)208)127(217)188-102(71-85-73-165-78-169-85)133(223)179-92(46-52-112(156)201)125(215)175-90(39-24-62-167-148(161)162)129(219)192-118(81(7)8)140(230)181-93(47-53-113(157)202)126(216)177-91(45-51-111(155)200)124(214)174-89(38-23-61-166-147(159)160)121(211)173-87(35-16-20-58-151)120(210)178-94(49-55-116(205)206)128(218)189-104(75-198)135(225)176-88(36-17-21-59-152)122(212)182-96(37-18-22-60-153)141(231)196-67-29-44-110(196)144(234)195-66-28-41-107(195)137(227)170-82(9)119(209)172-86(34-15-19-57-150)123(213)185-99(68-79(3)4)130(220)183-97(48-54-114(158)203)142(232)193-64-26-43-109(193)139(229)184-98(145(235)236)40-25-63-168-149(163)164/h12-14,32-33,73,78-82,84,86-110,118,197-199H,10-11,15-31,34-72,74-77,150-154H2,1-9H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,227)(H,171,204)(H,172,209)(H,173,211)(H,174,214)(H,175,215)(H,176,225)(H,177,216)(H,178,210)(H,179,223)(H,180,228)(H,181,230)(H,182,212)(H,183,220)(H,184,229)(H,185,213)(H,186,222)(H,187,226)(H,188,217)(H,189,218)(H,190,221)(H,191,224)(H,192,219)(H,205,206)(H,207,208)(H,235,236)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094052
(CHEMBL3585966)Show SMILES ONC(=O)CCCCCCc1nc(no1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C148H246N48O43/c1-9-59-165-113(204)51-54-117(210)239-76-104(191-134(226)101(73-197)171-114(205)71-153)136(228)187-99(69-82-28-11-10-12-29-82)132(224)186-98(68-79(4)5)131(223)190-103(75-199)143(235)194-64-25-38-106(194)138(230)180-93(46-53-116(208)209)127(219)188-100(70-83-72-164-77-169-83)133(225)179-90(42-48-110(155)201)125(217)175-88(35-22-61-167-147(160)161)129(221)192-118(80(6)7)140(232)181-91(43-49-111(156)202)126(218)177-89(41-47-109(154)200)124(216)174-87(34-21-60-166-146(158)159)121(213)173-85(31-14-18-56-150)120(212)178-92(45-52-115(206)207)128(220)189-102(74-198)135(227)176-86(32-15-19-57-151)122(214)182-94(33-16-20-58-152)141(233)196-66-27-40-108(196)144(236)195-65-26-37-105(195)137(229)170-81(8)119(211)172-84(30-13-17-55-149)123(215)185-97(67-78(2)3)130(222)183-95(44-50-112(157)203)142(234)193-63-24-39-107(193)139(231)184-96(145(237)238)36-23-62-168-148(162)163/h10-12,28-29,72,77-81,84-108,118,197-199H,9,13-27,30-71,73-76,149-153H2,1-8H3,(H2,154,200)(H2,155,201)(H2,156,202)(H2,157,203)(H,164,169)(H,165,204)(H,170,229)(H,171,205)(H,172,211)(H,173,213)(H,174,216)(H,175,217)(H,176,227)(H,177,218)(H,178,212)(H,179,225)(H,180,230)(H,181,232)(H,182,214)(H,183,222)(H,184,231)(H,185,215)(H,186,224)(H,187,228)(H,188,219)(H,189,220)(H,190,223)(H,191,226)(H,192,221)(H,206,207)(H,208,209)(H,237,238)(H4,158,159,166)(H4,160,161,167)(H4,162,163,168)/t81-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105?,106+,107?,108?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094197
(CHEMBL3585974)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094219
(CHEMBL3585355)Show InChI InChI=1S/C25H30O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,14,18,21-24,26-27H,7,9,11-13,15H2,1H3/t18-,21?,22?,23?,24-,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094222
(CHEMBL3585988)Show InChI InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15?,16?,17?,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094054
(CHEMBL3585968)Show InChI InChI=1S/C152H255N47O42/c1-9-10-11-12-13-14-15-19-48-121(212)241-81-109(194-138(228)106(78-200)174-118(207)76-157)140(230)190-104(74-87-35-17-16-18-36-87)136(226)189-103(73-84(4)5)135(225)193-108(80-202)147(237)197-69-32-45-111(197)142(232)183-98(54-60-120(210)211)131(221)191-105(75-88-77-168-82-172-88)137(227)182-95(50-56-115(159)204)129(219)178-93(42-29-66-170-151(164)165)133(223)195-122(85(6)7)144(234)184-96(51-57-116(160)205)130(220)180-94(49-55-114(158)203)128(218)177-92(41-28-65-169-150(162)163)125(215)176-90(38-21-25-62-154)124(214)181-97(53-59-119(208)209)132(222)192-107(79-201)139(229)179-91(39-22-26-63-155)126(216)185-99(40-23-27-64-156)145(235)199-71-34-47-113(199)148(238)198-70-33-44-110(198)141(231)173-86(8)123(213)175-89(37-20-24-61-153)127(217)188-102(72-83(2)3)134(224)186-100(52-58-117(161)206)146(236)196-68-31-46-112(196)143(233)187-101(149(239)240)43-30-67-171-152(166)167/h16-18,35-36,77,82-86,89-113,122,200-202H,9-15,19-34,37-76,78-81,153-157H2,1-8H3,(H2,158,203)(H2,159,204)(H2,160,205)(H2,161,206)(H,168,172)(H,173,231)(H,174,207)(H,175,213)(H,176,215)(H,177,218)(H,178,219)(H,179,229)(H,180,220)(H,181,214)(H,182,227)(H,183,232)(H,184,234)(H,185,216)(H,186,224)(H,187,233)(H,188,217)(H,189,226)(H,190,230)(H,191,221)(H,192,222)(H,193,225)(H,194,228)(H,195,223)(H,208,209)(H,210,211)(H,239,240)(H4,162,163,169)(H4,164,165,170)(H4,166,167,171)/t86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110?,111+,112?,113?,122-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094215
(CHEMBL3585982)Show InChI InChI=1S/C25H28Cl2O2/c1-24-11-9-18-17-8-6-16(28)13-15(17)5-7-19(18)21(24)10-12-25(24,29)14-20-22(26)3-2-4-23(20)27/h2-4,6,8,13,18-19,21,28-29H,5,7,9-12,14H2,1H3/t18?,19?,21?,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094053
(CHEMBL3585967)Show InChI InChI=1S/C148H248N48O42/c1-79(2)68-98(130(221)183-96(47-53-113(158)203)142(233)193-64-26-41-108(193)139(230)184-97(145(236)237)38-25-63-168-148(163)164)185-123(214)85(32-14-19-57-150)172-119(210)82(7)170-137(228)106-39-28-66-195(106)144(235)109-42-29-67-196(109)141(232)95(35-17-22-60-153)182-122(213)87(34-16-21-59-152)176-135(226)103(75-198)189-128(219)93(48-54-115(205)206)178-120(211)86(33-15-20-58-151)173-121(212)88(36-23-61-166-146(159)160)174-124(215)90(44-50-110(155)200)177-126(217)92(46-52-112(157)202)181-140(231)118(81(5)6)192-129(220)89(37-24-62-167-147(161)162)175-125(216)91(45-51-111(156)201)179-133(224)101(71-84-73-165-78-169-84)188-127(218)94(49-55-116(207)208)180-138(229)107-40-27-65-194(107)143(234)104(76-199)190-131(222)99(69-80(3)4)186-132(223)100(70-83-30-11-10-12-31-83)187-136(227)105(77-238-117(209)43-13-8-9-18-56-149)191-134(225)102(74-197)171-114(204)72-154/h10-12,30-31,73,78-82,85-109,118,197-199H,8-9,13-29,32-72,74-77,149-154H2,1-7H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106?,107+,108?,109?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094044
(CHEMBL3585961)Show InChI InChI=1S/C121H200N38O35/c1-7-8-9-10-14-36-96(171)194-63-86(155-111(185)83(60-160)139-93(166)58-125)113(187)151-81(56-68-26-12-11-13-27-68)109(183)150-80(55-65(2)3)108(182)154-85(62-162)118(192)157-52-23-34-88(157)115(189)147-78(41-46-95(169)170)105(179)152-82(57-69-59-134-64-137-69)110(184)146-75(38-43-91(127)164)103(177)142-73(32-22-51-136-121(132)133)107(181)156-97(66(4)5)116(190)148-76(39-44-92(128)165)104(178)144-74(37-42-90(126)163)102(176)141-72(31-21-50-135-120(130)131)100(174)140-70(28-15-18-47-122)99(173)145-77(40-45-94(167)168)106(180)153-84(61-161)112(186)143-71(29-16-19-48-123)101(175)149-79(30-17-20-49-124)117(191)159-54-25-35-89(159)119(193)158-53-24-33-87(158)114(188)138-67(6)98(129)172/h11-13,26-27,59,64-67,70-89,97,160-162H,7-10,14-25,28-58,60-63,122-125H2,1-6H3,(H2,126,163)(H2,127,164)(H2,128,165)(H2,129,172)(H,134,137)(H,138,188)(H,139,166)(H,140,174)(H,141,176)(H,142,177)(H,143,186)(H,144,178)(H,145,173)(H,146,184)(H,147,189)(H,148,190)(H,149,175)(H,150,183)(H,151,187)(H,152,179)(H,153,180)(H,154,182)(H,155,185)(H,156,181)(H,167,168)(H,169,170)(H4,130,131,135)(H4,132,133,136)/t67-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87?,88+,89?,97-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094041
(CHEMBL3585958)Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(171-115(204)73-154)137(227)190-104(76-198)136(226)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)191-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-103(75-197)135(225)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,225)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,219)(H,190,227)(H,191,222)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094218
(CHEMBL3585985)Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-19-30(32)21-18-28-27-15-13-23-22-24(31)14-16-25(23)26(27)17-20-29(28,30)2/h14,16,22,26-28,31-32H,3-13,15,17-21H2,1-2H3/t26?,27?,28?,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094043
(CHEMBL3585960)Show InChI InChI=1S/C143H237N47O42/c1-74(2)63-94(125(215)177-92(43-49-109(152)198)137(227)187-59-23-38-104(187)134(224)178-93(140(230)231)35-22-58-162-143(157)158)179-118(208)81(29-12-16-52-144)166-114(204)77(7)164-132(222)102-36-25-61-189(102)139(229)105-39-26-62-190(105)136(226)91(32-15-19-55-147)176-117(207)83(31-14-18-54-146)170-130(220)99(70-192)183-123(213)89(44-50-111(200)201)172-115(205)82(30-13-17-53-145)167-116(206)84(33-20-56-160-141(153)154)168-119(209)86(40-46-106(149)195)171-121(211)88(42-48-108(151)197)175-135(225)113(76(5)6)186-124(214)85(34-21-57-161-142(155)156)169-120(210)87(41-47-107(150)196)173-128(218)97(66-80-68-159-73-163-80)182-122(212)90(45-51-112(202)203)174-133(223)103-37-24-60-188(103)138(228)100(71-193)184-126(216)95(64-75(3)4)180-127(217)96(65-79-27-10-9-11-28-79)181-131(221)101(72-232-78(8)194)185-129(219)98(69-191)165-110(199)67-148/h9-11,27-28,68,73-77,81-105,113,191-193H,12-26,29-67,69-72,144-148H2,1-8H3,(H2,149,195)(H2,150,196)(H2,151,197)(H2,152,198)(H,159,163)(H,164,222)(H,165,199)(H,166,204)(H,167,206)(H,168,209)(H,169,210)(H,170,220)(H,171,211)(H,172,205)(H,173,218)(H,174,223)(H,175,225)(H,176,207)(H,177,215)(H,178,224)(H,179,208)(H,180,217)(H,181,221)(H,182,212)(H,183,213)(H,184,216)(H,185,219)(H,186,214)(H,200,201)(H,202,203)(H,230,231)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102?,103+,104?,105?,113-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094052
(CHEMBL3585966)Show SMILES ONC(=O)CCCCCCc1nc(no1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C148H246N48O43/c1-9-59-165-113(204)51-54-117(210)239-76-104(191-134(226)101(73-197)171-114(205)71-153)136(228)187-99(69-82-28-11-10-12-29-82)132(224)186-98(68-79(4)5)131(223)190-103(75-199)143(235)194-64-25-38-106(194)138(230)180-93(46-53-116(208)209)127(219)188-100(70-83-72-164-77-169-83)133(225)179-90(42-48-110(155)201)125(217)175-88(35-22-61-167-147(160)161)129(221)192-118(80(6)7)140(232)181-91(43-49-111(156)202)126(218)177-89(41-47-109(154)200)124(216)174-87(34-21-60-166-146(158)159)121(213)173-85(31-14-18-56-150)120(212)178-92(45-52-115(206)207)128(220)189-102(74-198)135(227)176-86(32-15-19-57-151)122(214)182-94(33-16-20-58-152)141(233)196-66-27-40-108(196)144(236)195-65-26-37-105(195)137(229)170-81(8)119(211)172-84(30-13-17-55-149)123(215)185-97(67-78(2)3)130(222)183-95(44-50-112(157)203)142(234)193-63-24-39-107(193)139(231)184-96(145(237)238)36-23-62-168-148(162)163/h10-12,28-29,72,77-81,84-108,118,197-199H,9,13-27,30-71,73-76,149-153H2,1-8H3,(H2,154,200)(H2,155,201)(H2,156,202)(H2,157,203)(H,164,169)(H,165,204)(H,170,229)(H,171,205)(H,172,211)(H,173,213)(H,174,216)(H,175,217)(H,176,227)(H,177,218)(H,178,212)(H,179,225)(H,180,230)(H,181,232)(H,182,214)(H,183,222)(H,184,231)(H,185,215)(H,186,224)(H,187,228)(H,188,219)(H,189,220)(H,190,223)(H,191,226)(H,192,221)(H,206,207)(H,208,209)(H,237,238)(H4,158,159,166)(H4,160,161,167)(H4,162,163,168)/t81-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105?,106+,107?,108?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094049
(CHEMBL3585965)Show SMILES ONC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(137(227)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164)191-129(219)94(50-56-116(205)206)178-121(211)87(35-18-22-59-151)173-122(212)89(38-25-62-166-147(159)160)174-125(215)91(46-52-111(155)200)177-127(217)93(48-54-113(157)202)181-141(231)119(82(6)7)192-130(220)90(39-26-63-167-148(161)162)175-126(216)92(47-53-112(156)201)179-134(224)102(72-85-74-165-79-169-85)188-128(218)95(51-57-117(207)208)180-139(229)108-42-29-66-194(108)144(234)105(77-199)190-132(222)100(70-81(4)5)186-133(223)101(71-84-32-14-13-15-33-84)187-136(226)104(76-198)189-135(225)103(75-197)171-115(204)73-154/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,227)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,226)(H,188,218)(H,189,225)(H,190,222)(H,191,219)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094195
(CHEMBL3585973)Show InChI InChI=1S/C21H23FN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094042
(CHEMBL3585959)Show InChI InChI=1S/C149H248BrN47O42/c1-80(2)69-99(131(222)184-97(48-54-114(159)204)143(234)194-65-27-42-109(194)140(231)185-98(146(237)238)39-26-64-169-149(164)165)186-124(215)86(33-15-20-58-151)173-120(211)83(7)171-138(229)107-40-29-67-196(107)145(236)110-43-30-68-197(110)142(233)96(36-18-23-61-154)183-123(214)88(35-17-22-60-153)177-136(227)104(76-199)190-129(220)94(49-55-116(206)207)179-121(212)87(34-16-21-59-152)174-122(213)89(37-24-62-167-147(160)161)175-125(216)91(45-51-111(156)201)178-127(218)93(47-53-113(158)203)182-141(232)119(82(5)6)193-130(221)90(38-25-63-168-148(162)163)176-126(217)92(46-52-112(157)202)180-134(225)102(72-85-74-166-79-170-85)189-128(219)95(50-56-117(208)209)181-139(230)108-41-28-66-195(108)144(235)105(77-200)191-132(223)100(70-81(3)4)187-133(224)101(71-84-31-12-11-13-32-84)188-137(228)106(192-135(226)103(75-198)172-115(205)73-155)78-239-118(210)44-14-9-8-10-19-57-150/h11-13,31-32,74,79-83,86-110,119,198-200H,8-10,14-30,33-73,75-78,151-155H2,1-7H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,204)(H,166,170)(H,171,229)(H,172,205)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,227)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,228)(H,189,219)(H,190,220)(H,191,223)(H,192,226)(H,193,221)(H,206,207)(H,208,209)(H,237,238)(H4,160,161,167)(H4,162,163,168)(H4,164,165,169)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094216
(CHEMBL3585983)Show SMILES FC(F)(F)C(=O)CCCCCCc1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H38O2/c1-3-4-5-20-6-8-21(9-7-20)19-29(31)17-15-27-26-12-10-22-18-23(30)11-13-24(22)25(26)14-16-28(27,29)2/h6-9,11,13,18,25-27,30-31H,3-5,10,12,14-17,19H2,1-2H3/t25?,26?,27?,28-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094211
(CHEMBL3585978)Show InChI InChI=1S/C26H28O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,12-14,16H2,1H3/t22?,23?,24?,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094065
(CHEMBL3585972)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C148H239N47O42/c1-78(2)67-98(129(219)182-96(47-53-113(157)202)141(231)192-63-25-42-108(192)138(228)183-97(144(234)235)39-24-62-167-148(162)163)184-122(212)85(33-14-18-56-149)171-118(208)81(7)169-136(226)106-40-27-65-194(106)143(233)109-43-28-66-195(109)140(230)95(36-17-21-59-152)181-121(211)87(35-16-20-58-151)175-134(224)103(74-197)188-127(217)93(48-54-115(204)205)177-119(209)86(34-15-19-57-150)172-120(210)88(37-22-60-165-146(158)159)173-123(213)90(44-50-110(154)199)176-125(215)92(46-52-112(156)201)180-139(229)117(80(5)6)191-128(218)89(38-23-61-166-147(160)161)174-124(214)91(45-51-111(155)200)178-132(222)101(70-84-72-164-77-168-84)187-126(216)94(49-55-116(206)207)179-137(227)107-41-26-64-193(107)142(232)104(75-198)189-130(220)99(68-79(3)4)185-131(221)100(69-82-29-10-8-11-30-82)186-135(225)105(76-237-145(236)83-31-12-9-13-32-83)190-133(223)102(73-196)170-114(203)71-153/h8-13,29-32,72,77-81,85-109,117,196-198H,14-28,33-71,73-76,149-153H2,1-7H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H,164,168)(H,169,226)(H,170,203)(H,171,208)(H,172,210)(H,173,213)(H,174,214)(H,175,224)(H,176,215)(H,177,209)(H,178,222)(H,179,227)(H,180,229)(H,181,211)(H,182,219)(H,183,228)(H,184,212)(H,185,221)(H,186,225)(H,187,216)(H,188,217)(H,189,220)(H,190,223)(H,191,218)(H,204,205)(H,206,207)(H,234,235)(H4,158,159,165)(H4,160,161,166)(H4,162,163,167)/t81-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106?,107+,108?,109?,117-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094212
(CHEMBL3585979)Show InChI InChI=1S/C25H29FO2/c1-24-11-9-21-20-8-6-19(27)14-17(20)5-7-22(21)23(24)10-12-25(24,28)15-16-3-2-4-18(26)13-16/h2-4,6,8,13-14,21-23,27-28H,5,7,9-12,15H2,1H3/t21?,22?,23?,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094220
(CHEMBL3585986)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1noc(CCCCCCC(=O)C(F)(F)F)n1 Show InChI InChI=1S/C18H23NO4S/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(20)9-15(17(10)13)24(19,22)23/h8-9,12-14,20H,2-7H2,1H3,(H2,19,22,23)/t12?,13-,14-,18?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094214
(CHEMBL3585981)Show InChI InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h5,7,12,16-18,21-22H,3-4,6,8-11H2,1-2H3/t16?,17?,18?,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094047
(CHEMBL3585964)Show InChI InChI=1S/C149H249N47O42/c1-10-30-84(31-11-2)146(237)238-77-106(191-134(224)103(74-197)171-115(204)72-154)136(226)187-101(70-83-32-13-12-14-33-83)132(222)186-100(69-80(5)6)131(221)190-105(76-199)143(233)194-65-27-42-108(194)138(228)180-95(50-56-117(207)208)127(217)188-102(71-85-73-165-78-169-85)133(223)179-92(46-52-112(156)201)125(215)175-90(39-24-62-167-148(161)162)129(219)192-118(81(7)8)140(230)181-93(47-53-113(157)202)126(216)177-91(45-51-111(155)200)124(214)174-89(38-23-61-166-147(159)160)121(211)173-87(35-16-20-58-151)120(210)178-94(49-55-116(205)206)128(218)189-104(75-198)135(225)176-88(36-17-21-59-152)122(212)182-96(37-18-22-60-153)141(231)196-67-29-44-110(196)144(234)195-66-28-41-107(195)137(227)170-82(9)119(209)172-86(34-15-19-57-150)123(213)185-99(68-79(3)4)130(220)183-97(48-54-114(158)203)142(232)193-64-26-43-109(193)139(229)184-98(145(235)236)40-25-63-168-149(163)164/h12-14,32-33,73,78-82,84,86-110,118,197-199H,10-11,15-31,34-72,74-77,150-154H2,1-9H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,227)(H,171,204)(H,172,209)(H,173,211)(H,174,214)(H,175,215)(H,176,225)(H,177,216)(H,178,210)(H,179,223)(H,180,228)(H,181,230)(H,182,212)(H,183,220)(H,184,229)(H,185,213)(H,186,222)(H,187,226)(H,188,217)(H,189,218)(H,190,221)(H,191,224)(H,192,219)(H,205,206)(H,207,208)(H,235,236)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t82-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,118-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094062
(CHEMBL3585971)Show SMILES COc1ccc(cc1)-c1noc(CCCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C149H250N48O41/c1-9-10-11-12-16-45-115(205)169-75-103(190-136(227)104(76-198)172-116(206)73-154)135(226)188-101(71-84-32-14-13-15-33-84)133(224)187-100(70-81(4)5)132(223)192-106(78-200)144(235)195-66-29-42-108(195)139(230)181-95(51-57-118(209)210)128(219)189-102(72-85-74-165-79-170-85)134(225)180-92(47-53-112(156)202)126(217)176-90(39-26-63-167-148(161)162)130(221)193-119(82(6)7)141(232)182-93(48-54-113(157)203)127(218)178-91(46-52-111(155)201)125(216)175-89(38-25-62-166-147(159)160)122(213)174-87(35-18-22-59-151)121(212)179-94(50-56-117(207)208)129(220)191-105(77-199)137(228)177-88(36-19-23-60-152)123(214)183-96(37-20-24-61-153)142(233)197-68-31-44-110(197)145(236)196-67-30-41-107(196)138(229)171-83(8)120(211)173-86(34-17-21-58-150)124(215)186-99(69-80(2)3)131(222)184-97(49-55-114(158)204)143(234)194-65-28-43-109(194)140(231)185-98(146(237)238)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,198-200H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,201)(H2,156,202)(H2,157,203)(H2,158,204)(H,165,170)(H,169,205)(H,171,229)(H,172,206)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,228)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,226)(H,189,219)(H,190,227)(H,191,220)(H,192,223)(H,193,221)(H,207,208)(H,209,210)(H,237,238)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094221
(CHEMBL3585987)Show SMILES [O-][N+](=O)c1cccc(c1)-c1noc(CCCCCCC(=O)C(F)(F)F)n1 Show InChI InChI=1S/C24H28O2/c1-23-13-11-20-19-10-8-18(25)15-16(19)7-9-21(20)22(23)12-14-24(23,26)17-5-3-2-4-6-17/h2-6,8,10,15,20-22,25-26H,7,9,11-14H2,1H3/t20?,21?,22?,23-,24+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094198
(CHEMBL3585975)Show InChI InChI=1S/C21H23ClN4O2/c22-16-10-6-5-9-15(16)21-25-20(28-26-21)14-4-2-1-3-13-19(27)24-18-12-8-7-11-17(18)23/h5-12H,1-4,13-14,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094215
(CHEMBL3585982)Show InChI InChI=1S/C25H28Cl2O2/c1-24-11-9-18-17-8-6-16(28)13-15(17)5-7-19(18)21(24)10-12-25(24,29)14-20-22(26)3-2-4-23(20)27/h2-4,6,8,13,18-19,21,28-29H,5,7,9-12,14H2,1H3/t18?,19?,21?,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094222
(CHEMBL3585988)Show InChI InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3/t15?,16?,17?,18-,19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094200
(CHEMBL3585977)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14?,15?,16?,17?,18?,19?,20?,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094046
(CHEMBL3585963)Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094213
(CHEMBL3585980)Show InChI InChI=1S/C16H17F3N2O2/c17-16(18,19)13(22)10-6-1-2-7-11-14-20-15(21-23-14)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094042
(CHEMBL3585959)Show InChI InChI=1S/C149H248BrN47O42/c1-80(2)69-99(131(222)184-97(48-54-114(159)204)143(234)194-65-27-42-109(194)140(231)185-98(146(237)238)39-26-64-169-149(164)165)186-124(215)86(33-15-20-58-151)173-120(211)83(7)171-138(229)107-40-29-67-196(107)145(236)110-43-30-68-197(110)142(233)96(36-18-23-61-154)183-123(214)88(35-17-22-60-153)177-136(227)104(76-199)190-129(220)94(49-55-116(206)207)179-121(212)87(34-16-21-59-152)174-122(213)89(37-24-62-167-147(160)161)175-125(216)91(45-51-111(156)201)178-127(218)93(47-53-113(158)203)182-141(232)119(82(5)6)193-130(221)90(38-25-63-168-148(162)163)176-126(217)92(46-52-112(157)202)180-134(225)102(72-85-74-166-79-170-85)189-128(219)95(50-56-117(208)209)181-139(230)108-41-28-66-195(108)144(235)105(77-200)191-132(223)100(70-81(3)4)187-133(224)101(71-84-31-12-11-13-32-84)188-137(228)106(192-135(226)103(75-198)172-115(205)73-155)78-239-118(210)44-14-9-8-10-19-57-150/h11-13,31-32,74,79-83,86-110,119,198-200H,8-10,14-30,33-73,75-78,151-155H2,1-7H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,204)(H,166,170)(H,171,229)(H,172,205)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,227)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,228)(H,189,219)(H,190,220)(H,191,223)(H,192,226)(H,193,221)(H,206,207)(H,208,209)(H,237,238)(H4,160,161,167)(H4,162,163,168)(H4,164,165,169)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094045
(CHEMBL3585962)Show InChI InChI=1S/C153H251N47O42/c1-80(2)62-102(134(225)187-100(42-48-117(162)207)146(237)197-58-22-37-112(197)143(234)188-101(149(240)241)34-21-57-172-152(167)168)189-127(218)89(28-11-15-51-154)176-123(214)83(7)174-141(232)110-35-24-60-199(110)148(239)113-38-25-61-200(113)145(236)99(31-14-18-54-157)186-126(217)91(30-13-17-53-156)180-139(230)107(76-202)193-132(223)97(43-49-119(209)210)182-124(215)90(29-12-16-52-155)177-125(216)92(32-19-55-170-150(163)164)178-128(219)94(39-45-114(159)204)181-130(221)96(41-47-116(161)206)185-144(235)122(82(5)6)196-133(224)93(33-20-56-171-151(165)166)179-129(220)95(40-46-115(160)205)183-137(228)105(68-88-74-169-79-173-88)192-131(222)98(44-50-120(211)212)184-142(233)111-36-23-59-198(111)147(238)108(77-203)194-135(226)103(63-81(3)4)190-136(227)104(67-84-26-9-8-10-27-84)191-140(231)109(195-138(229)106(75-201)175-118(208)73-158)78-242-121(213)72-153-69-85-64-86(70-153)66-87(65-85)71-153/h8-10,26-27,74,79-83,85-87,89-113,122,201-203H,11-25,28-73,75-78,154-158H2,1-7H3,(H2,159,204)(H2,160,205)(H2,161,206)(H2,162,207)(H,169,173)(H,174,232)(H,175,208)(H,176,214)(H,177,216)(H,178,219)(H,179,220)(H,180,230)(H,181,221)(H,182,215)(H,183,228)(H,184,233)(H,185,235)(H,186,217)(H,187,225)(H,188,234)(H,189,218)(H,190,227)(H,191,231)(H,192,222)(H,193,223)(H,194,226)(H,195,229)(H,196,224)(H,209,210)(H,211,212)(H,240,241)(H4,163,164,170)(H4,165,166,171)(H4,167,168,172)/t83-,85-,86+,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110?,111+,112?,113?,122-,153?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094197
(CHEMBL3585974)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094214
(CHEMBL3585981)Show InChI InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h5,7,12,16-18,21-22H,3-4,6,8-11H2,1-2H3/t16?,17?,18?,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094219
(CHEMBL3585355)Show InChI InChI=1S/C25H30O2/c1-25-12-11-21-20-10-8-19(26)14-17(20)7-9-22(21)23(25)15-18(24(25)27)13-16-5-3-2-4-6-16/h2-6,8,10,14,18,21-24,26-27H,7,9,11-13,15H2,1H3/t18-,21?,22?,23?,24-,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094217
(CHEMBL3585984)Show InChI InChI=1S/C26H32O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,11-16H2,1H3/t22?,23?,24?,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094044
(CHEMBL3585961)Show InChI InChI=1S/C121H200N38O35/c1-7-8-9-10-14-36-96(171)194-63-86(155-111(185)83(60-160)139-93(166)58-125)113(187)151-81(56-68-26-12-11-13-27-68)109(183)150-80(55-65(2)3)108(182)154-85(62-162)118(192)157-52-23-34-88(157)115(189)147-78(41-46-95(169)170)105(179)152-82(57-69-59-134-64-137-69)110(184)146-75(38-43-91(127)164)103(177)142-73(32-22-51-136-121(132)133)107(181)156-97(66(4)5)116(190)148-76(39-44-92(128)165)104(178)144-74(37-42-90(126)163)102(176)141-72(31-21-50-135-120(130)131)100(174)140-70(28-15-18-47-122)99(173)145-77(40-45-94(167)168)106(180)153-84(61-161)112(186)143-71(29-16-19-48-123)101(175)149-79(30-17-20-49-124)117(191)159-54-25-35-89(159)119(193)158-53-24-33-87(158)114(188)138-67(6)98(129)172/h11-13,26-27,59,64-67,70-89,97,160-162H,7-10,14-25,28-58,60-63,122-125H2,1-6H3,(H2,126,163)(H2,127,164)(H2,128,165)(H2,129,172)(H,134,137)(H,138,188)(H,139,166)(H,140,174)(H,141,176)(H,142,177)(H,143,186)(H,144,178)(H,145,173)(H,146,184)(H,147,189)(H,148,190)(H,149,175)(H,150,183)(H,151,187)(H,152,179)(H,153,180)(H,154,182)(H,155,185)(H,156,181)(H,167,168)(H,169,170)(H4,130,131,135)(H4,132,133,136)/t67-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87?,88+,89?,97-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094220
(CHEMBL3585986)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1noc(CCCCCCC(=O)C(F)(F)F)n1 Show InChI InChI=1S/C18H23NO4S/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(20)9-15(17(10)13)24(19,22)23/h8-9,12-14,20H,2-7H2,1H3,(H2,19,22,23)/t12?,13-,14-,18?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094216
(CHEMBL3585983)Show SMILES FC(F)(F)C(=O)CCCCCCc1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H38O2/c1-3-4-5-20-6-8-21(9-7-20)19-29(31)17-15-27-26-12-10-22-18-23(30)11-13-24(22)25(26)14-16-28(27,29)2/h6-9,11,13,18,25-27,30-31H,3-5,10,12,14-17,19H2,1-2H3/t25?,26?,27?,28-,29+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094061
(CHEMBL3585970)Show InChI InChI=1S/C157H265N47O42/c1-9-10-11-12-13-14-15-16-17-18-19-20-24-53-126(217)246-86-114(199-143(233)111(83-205)179-123(212)81-162)145(235)195-109(79-92-40-22-21-23-41-92)141(231)194-108(78-89(4)5)140(230)198-113(85-207)152(242)202-74-37-50-116(202)147(237)188-103(59-65-125(215)216)136(226)196-110(80-93-82-173-87-177-93)142(232)187-100(55-61-120(164)209)134(224)183-98(47-34-71-175-156(169)170)138(228)200-127(90(6)7)149(239)189-101(56-62-121(165)210)135(225)185-99(54-60-119(163)208)133(223)182-97(46-33-70-174-155(167)168)130(220)181-95(43-26-30-67-159)129(219)186-102(58-64-124(213)214)137(227)197-112(84-206)144(234)184-96(44-27-31-68-160)131(221)190-104(45-28-32-69-161)150(240)204-76-39-52-118(204)153(243)203-75-38-49-115(203)146(236)178-91(8)128(218)180-94(42-25-29-66-158)132(222)193-107(77-88(2)3)139(229)191-105(57-63-122(166)211)151(241)201-73-36-51-117(201)148(238)192-106(154(244)245)48-35-72-176-157(171)172/h21-23,40-41,82,87-91,94-118,127,205-207H,9-20,24-39,42-81,83-86,158-162H2,1-8H3,(H2,163,208)(H2,164,209)(H2,165,210)(H2,166,211)(H,173,177)(H,178,236)(H,179,212)(H,180,218)(H,181,220)(H,182,223)(H,183,224)(H,184,234)(H,185,225)(H,186,219)(H,187,232)(H,188,237)(H,189,239)(H,190,221)(H,191,229)(H,192,238)(H,193,222)(H,194,231)(H,195,235)(H,196,226)(H,197,227)(H,198,230)(H,199,233)(H,200,228)(H,213,214)(H,215,216)(H,244,245)(H4,167,168,174)(H4,169,170,175)(H4,171,172,176)/t91-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115?,116+,117?,118?,127-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094218
(CHEMBL3585985)Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-19-30(32)21-18-28-27-15-13-23-22-24(31)14-16-25(23)26(27)17-20-29(28,30)2/h14,16,22,26-28,31-32H,3-13,15,17-21H2,1-2H3/t26?,27?,28?,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094199
(CHEMBL3585976)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H23N5O4/c22-17-7-5-6-8-18(17)23-19(27)9-3-1-2-4-10-20-24-21(25-30-20)15-11-13-16(14-12-15)26(28)29/h5-8,11-14H,1-4,9-10,22H2,(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094045
(CHEMBL3585962)Show InChI InChI=1S/C153H251N47O42/c1-80(2)62-102(134(225)187-100(42-48-117(162)207)146(237)197-58-22-37-112(197)143(234)188-101(149(240)241)34-21-57-172-152(167)168)189-127(218)89(28-11-15-51-154)176-123(214)83(7)174-141(232)110-35-24-60-199(110)148(239)113-38-25-61-200(113)145(236)99(31-14-18-54-157)186-126(217)91(30-13-17-53-156)180-139(230)107(76-202)193-132(223)97(43-49-119(209)210)182-124(215)90(29-12-16-52-155)177-125(216)92(32-19-55-170-150(163)164)178-128(219)94(39-45-114(159)204)181-130(221)96(41-47-116(161)206)185-144(235)122(82(5)6)196-133(224)93(33-20-56-171-151(165)166)179-129(220)95(40-46-115(160)205)183-137(228)105(68-88-74-169-79-173-88)192-131(222)98(44-50-120(211)212)184-142(233)111-36-23-59-198(111)147(238)108(77-203)194-135(226)103(63-81(3)4)190-136(227)104(67-84-26-9-8-10-27-84)191-140(231)109(195-138(229)106(75-201)175-118(208)73-158)78-242-121(213)72-153-69-85-64-86(70-153)66-87(65-85)71-153/h8-10,26-27,74,79-83,85-87,89-113,122,201-203H,11-25,28-73,75-78,154-158H2,1-7H3,(H2,159,204)(H2,160,205)(H2,161,206)(H2,162,207)(H,169,173)(H,174,232)(H,175,208)(H,176,214)(H,177,216)(H,178,219)(H,179,220)(H,180,230)(H,181,221)(H,182,215)(H,183,228)(H,184,233)(H,185,235)(H,186,217)(H,187,225)(H,188,234)(H,189,218)(H,190,227)(H,191,231)(H,192,222)(H,193,223)(H,194,226)(H,195,229)(H,196,224)(H,209,210)(H,211,212)(H,240,241)(H4,163,164,170)(H4,165,166,171)(H4,167,168,172)/t83-,85-,86+,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110?,111+,112?,113?,122-,153?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094215
(CHEMBL3585982)Show InChI InChI=1S/C25H28Cl2O2/c1-24-11-9-18-17-8-6-16(28)13-15(17)5-7-19(18)21(24)10-12-25(24,29)14-20-22(26)3-2-4-23(20)27/h2-4,6,8,13,18-19,21,28-29H,5,7,9-12,14H2,1H3/t18?,19?,21?,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094065
(CHEMBL3585972)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C148H239N47O42/c1-78(2)67-98(129(219)182-96(47-53-113(157)202)141(231)192-63-25-42-108(192)138(228)183-97(144(234)235)39-24-62-167-148(162)163)184-122(212)85(33-14-18-56-149)171-118(208)81(7)169-136(226)106-40-27-65-194(106)143(233)109-43-28-66-195(109)140(230)95(36-17-21-59-152)181-121(211)87(35-16-20-58-151)175-134(224)103(74-197)188-127(217)93(48-54-115(204)205)177-119(209)86(34-15-19-57-150)172-120(210)88(37-22-60-165-146(158)159)173-123(213)90(44-50-110(154)199)176-125(215)92(46-52-112(156)201)180-139(229)117(80(5)6)191-128(218)89(38-23-61-166-147(160)161)174-124(214)91(45-51-111(155)200)178-132(222)101(70-84-72-164-77-168-84)187-126(216)94(49-55-116(206)207)179-137(227)107-41-26-64-193(107)142(232)104(75-198)189-130(220)99(68-79(3)4)185-131(221)100(69-82-29-10-8-11-30-82)186-135(225)105(76-237-145(236)83-31-12-9-13-32-83)190-133(223)102(73-196)170-114(203)71-153/h8-13,29-32,72,77-81,85-109,117,196-198H,14-28,33-71,73-76,149-153H2,1-7H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H,164,168)(H,169,226)(H,170,203)(H,171,208)(H,172,210)(H,173,213)(H,174,214)(H,175,224)(H,176,215)(H,177,209)(H,178,222)(H,179,227)(H,180,229)(H,181,211)(H,182,219)(H,183,228)(H,184,212)(H,185,221)(H,186,225)(H,187,216)(H,188,217)(H,189,220)(H,190,223)(H,191,218)(H,204,205)(H,206,207)(H,234,235)(H4,158,159,165)(H4,160,161,166)(H4,162,163,167)/t81-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106?,107+,108?,109?,117-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094220
(CHEMBL3585986)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1noc(CCCCCCC(=O)C(F)(F)F)n1 Show InChI InChI=1S/C18H23NO4S/c1-18-7-6-13-12(14(18)4-5-16(18)21)3-2-10-8-11(20)9-15(17(10)13)24(19,22)23/h8-9,12-14,20H,2-7H2,1H3,(H2,19,22,23)/t12?,13-,14-,18?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094217
(CHEMBL3585984)Show InChI InChI=1S/C26H32O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,11-16H2,1H3/t22?,23?,24?,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094212
(CHEMBL3585979)Show InChI InChI=1S/C25H29FO2/c1-24-11-9-21-20-8-6-19(27)14-17(20)5-7-22(21)23(24)10-12-25(24,28)15-16-3-2-4-18(26)13-16/h2-4,6,8,13-14,21-23,27-28H,5,7,9-12,15H2,1H3/t21?,22?,23?,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094062
(CHEMBL3585971)Show SMILES COc1ccc(cc1)-c1noc(CCCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C149H250N48O41/c1-9-10-11-12-16-45-115(205)169-75-103(190-136(227)104(76-198)172-116(206)73-154)135(226)188-101(71-84-32-14-13-15-33-84)133(224)187-100(70-81(4)5)132(223)192-106(78-200)144(235)195-66-29-42-108(195)139(230)181-95(51-57-118(209)210)128(219)189-102(72-85-74-165-79-170-85)134(225)180-92(47-53-112(156)202)126(217)176-90(39-26-63-167-148(161)162)130(221)193-119(82(6)7)141(232)182-93(48-54-113(157)203)127(218)178-91(46-52-111(155)201)125(216)175-89(38-25-62-166-147(159)160)122(213)174-87(35-18-22-59-151)121(212)179-94(50-56-117(207)208)129(220)191-105(77-199)137(228)177-88(36-19-23-60-152)123(214)183-96(37-20-24-61-153)142(233)197-68-31-44-110(197)145(236)196-67-30-41-107(196)138(229)171-83(8)120(211)173-86(34-17-21-58-150)124(215)186-99(69-80(2)3)131(222)184-97(49-55-114(158)204)143(234)194-65-28-43-109(194)140(231)185-98(146(237)238)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,198-200H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,201)(H2,156,202)(H2,157,203)(H2,158,204)(H,165,170)(H,169,205)(H,171,229)(H,172,206)(H,173,211)(H,174,213)(H,175,216)(H,176,217)(H,177,228)(H,178,218)(H,179,212)(H,180,225)(H,181,230)(H,182,232)(H,183,214)(H,184,222)(H,185,231)(H,186,215)(H,187,224)(H,188,226)(H,189,219)(H,190,227)(H,191,220)(H,192,223)(H,193,221)(H,207,208)(H,209,210)(H,237,238)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094199
(CHEMBL3585976)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H23N5O4/c22-17-7-5-6-8-18(17)23-19(27)9-3-1-2-4-10-20-24-21(25-30-20)15-11-13-16(14-12-15)26(28)29/h5-8,11-14H,1-4,9-10,22H2,(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094200
(CHEMBL3585977)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C21H33NO2/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,24)18-12-22-18/h3,14-18,22-24H,4-12H2,1-2H3/t14?,15?,16?,17?,18?,19?,20?,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094198
(CHEMBL3585975)Show InChI InChI=1S/C21H23ClN4O2/c22-16-10-6-5-9-15(16)21-25-20(28-26-21)14-4-2-1-3-13-19(27)24-18-12-8-7-11-17(18)23/h5-12H,1-4,13-14,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094044
(CHEMBL3585961)Show InChI InChI=1S/C121H200N38O35/c1-7-8-9-10-14-36-96(171)194-63-86(155-111(185)83(60-160)139-93(166)58-125)113(187)151-81(56-68-26-12-11-13-27-68)109(183)150-80(55-65(2)3)108(182)154-85(62-162)118(192)157-52-23-34-88(157)115(189)147-78(41-46-95(169)170)105(179)152-82(57-69-59-134-64-137-69)110(184)146-75(38-43-91(127)164)103(177)142-73(32-22-51-136-121(132)133)107(181)156-97(66(4)5)116(190)148-76(39-44-92(128)165)104(178)144-74(37-42-90(126)163)102(176)141-72(31-21-50-135-120(130)131)100(174)140-70(28-15-18-47-122)99(173)145-77(40-45-94(167)168)106(180)153-84(61-161)112(186)143-71(29-16-19-48-123)101(175)149-79(30-17-20-49-124)117(191)159-54-25-35-89(159)119(193)158-53-24-33-87(158)114(188)138-67(6)98(129)172/h11-13,26-27,59,64-67,70-89,97,160-162H,7-10,14-25,28-58,60-63,122-125H2,1-6H3,(H2,126,163)(H2,127,164)(H2,128,165)(H2,129,172)(H,134,137)(H,138,188)(H,139,166)(H,140,174)(H,141,176)(H,142,177)(H,143,186)(H,144,178)(H,145,173)(H,146,184)(H,147,189)(H,148,190)(H,149,175)(H,150,183)(H,151,187)(H,152,179)(H,153,180)(H,154,182)(H,155,185)(H,156,181)(H,167,168)(H,169,170)(H4,130,131,135)(H4,132,133,136)/t67-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87?,88+,89?,97-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094046
(CHEMBL3585963)Show InChI InChI=1S/C149H249N47O42/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107?,108+,109?,110?,119-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094059
(CHEMBL3585969)Show InChI InChI=1S/C141H235N47O41/c1-73(2)62-92(123(213)175-90(42-48-107(150)196)135(225)185-58-22-37-102(185)132(222)176-91(138(228)229)34-21-57-160-141(155)156)177-116(206)79(28-11-15-51-142)164-112(202)76(7)162-130(220)100-35-24-60-187(100)137(227)103-38-25-61-188(103)134(224)89(31-14-18-54-145)174-115(205)81(30-13-17-53-144)168-128(218)97(69-190)181-121(211)87(43-49-109(198)199)170-113(203)80(29-12-16-52-143)165-114(204)82(32-19-55-158-139(151)152)166-117(207)84(39-45-104(147)193)169-119(209)86(41-47-106(149)195)173-133(223)111(75(5)6)184-122(212)83(33-20-56-159-140(153)154)167-118(208)85(40-46-105(148)194)171-126(216)95(65-78-67-157-72-161-78)180-120(210)88(44-50-110(200)201)172-131(221)101-36-23-59-186(101)136(226)99(71-192)183-124(214)93(63-74(3)4)178-125(215)94(64-77-26-9-8-10-27-77)179-129(219)98(70-191)182-127(217)96(68-189)163-108(197)66-146/h8-10,26-27,67,72-76,79-103,111,189-192H,11-25,28-66,68-71,142-146H2,1-7H3,(H2,147,193)(H2,148,194)(H2,149,195)(H2,150,196)(H,157,161)(H,162,220)(H,163,197)(H,164,202)(H,165,204)(H,166,207)(H,167,208)(H,168,218)(H,169,209)(H,170,203)(H,171,216)(H,172,221)(H,173,223)(H,174,205)(H,175,213)(H,176,222)(H,177,206)(H,178,215)(H,179,219)(H,180,210)(H,181,211)(H,182,217)(H,183,214)(H,184,212)(H,198,199)(H,200,201)(H,228,229)(H4,151,152,158)(H4,153,154,159)(H4,155,156,160)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100?,101+,102?,103?,111-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094198
(CHEMBL3585975)Show InChI InChI=1S/C21H23ClN4O2/c22-16-10-6-5-9-15(16)21-25-20(28-26-21)14-4-2-1-3-13-19(27)24-18-12-8-7-11-17(18)23/h5-12H,1-4,13-14,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094043
(CHEMBL3585960)Show InChI InChI=1S/C143H237N47O42/c1-74(2)63-94(125(215)177-92(43-49-109(152)198)137(227)187-59-23-38-104(187)134(224)178-93(140(230)231)35-22-58-162-143(157)158)179-118(208)81(29-12-16-52-144)166-114(204)77(7)164-132(222)102-36-25-61-189(102)139(229)105-39-26-62-190(105)136(226)91(32-15-19-55-147)176-117(207)83(31-14-18-54-146)170-130(220)99(70-192)183-123(213)89(44-50-111(200)201)172-115(205)82(30-13-17-53-145)167-116(206)84(33-20-56-160-141(153)154)168-119(209)86(40-46-106(149)195)171-121(211)88(42-48-108(151)197)175-135(225)113(76(5)6)186-124(214)85(34-21-57-161-142(155)156)169-120(210)87(41-47-107(150)196)173-128(218)97(66-80-68-159-73-163-80)182-122(212)90(45-51-112(202)203)174-133(223)103-37-24-60-188(103)138(228)100(71-193)184-126(216)95(64-75(3)4)180-127(217)96(65-79-27-10-9-11-28-79)181-131(221)101(72-232-78(8)194)185-129(219)98(69-191)165-110(199)67-148/h9-11,27-28,68,73-77,81-105,113,191-193H,12-26,29-67,69-72,144-148H2,1-8H3,(H2,149,195)(H2,150,196)(H2,151,197)(H2,152,198)(H,159,163)(H,164,222)(H,165,199)(H,166,204)(H,167,206)(H,168,209)(H,169,210)(H,170,220)(H,171,211)(H,172,205)(H,173,218)(H,174,223)(H,175,225)(H,176,207)(H,177,215)(H,178,224)(H,179,208)(H,180,217)(H,181,221)(H,182,212)(H,183,213)(H,184,216)(H,185,219)(H,186,214)(H,200,201)(H,202,203)(H,230,231)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102?,103+,104?,105?,113-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094211
(CHEMBL3585978)Show InChI InChI=1S/C26H28O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,12-14,16H2,1H3/t22?,23?,24?,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094217
(CHEMBL3585984)Show InChI InChI=1S/C26H32O2/c1-25-14-12-22-21-10-8-20(27)17-19(21)7-9-23(22)24(25)13-16-26(25,28)15-11-18-5-3-2-4-6-18/h2-6,8,10,17,22-24,27-28H,7,9,11-16H2,1H3/t22?,23?,24?,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094214
(CHEMBL3585981)Show InChI InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h5,7,12,16-18,21-22H,3-4,6,8-11H2,1-2H3/t16?,17?,18?,19-,20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094043
(CHEMBL3585960)Show InChI InChI=1S/C143H237N47O42/c1-74(2)63-94(125(215)177-92(43-49-109(152)198)137(227)187-59-23-38-104(187)134(224)178-93(140(230)231)35-22-58-162-143(157)158)179-118(208)81(29-12-16-52-144)166-114(204)77(7)164-132(222)102-36-25-61-189(102)139(229)105-39-26-62-190(105)136(226)91(32-15-19-55-147)176-117(207)83(31-14-18-54-146)170-130(220)99(70-192)183-123(213)89(44-50-111(200)201)172-115(205)82(30-13-17-53-145)167-116(206)84(33-20-56-160-141(153)154)168-119(209)86(40-46-106(149)195)171-121(211)88(42-48-108(151)197)175-135(225)113(76(5)6)186-124(214)85(34-21-57-161-142(155)156)169-120(210)87(41-47-107(150)196)173-128(218)97(66-80-68-159-73-163-80)182-122(212)90(45-51-112(202)203)174-133(223)103-37-24-60-188(103)138(228)100(71-193)184-126(216)95(64-75(3)4)180-127(217)96(65-79-27-10-9-11-28-79)181-131(221)101(72-232-78(8)194)185-129(219)98(69-191)165-110(199)67-148/h9-11,27-28,68,73-77,81-105,113,191-193H,12-26,29-67,69-72,144-148H2,1-8H3,(H2,149,195)(H2,150,196)(H2,151,197)(H2,152,198)(H,159,163)(H,164,222)(H,165,199)(H,166,204)(H,167,206)(H,168,209)(H,169,210)(H,170,220)(H,171,211)(H,172,205)(H,173,218)(H,174,223)(H,175,225)(H,176,207)(H,177,215)(H,178,224)(H,179,208)(H,180,217)(H,181,221)(H,182,212)(H,183,213)(H,184,216)(H,185,219)(H,186,214)(H,200,201)(H,202,203)(H,230,231)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t77-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102?,103+,104?,105?,113-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094195
(CHEMBL3585973)Show InChI InChI=1S/C21H23FN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094065
(CHEMBL3585972)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C148H239N47O42/c1-78(2)67-98(129(219)182-96(47-53-113(157)202)141(231)192-63-25-42-108(192)138(228)183-97(144(234)235)39-24-62-167-148(162)163)184-122(212)85(33-14-18-56-149)171-118(208)81(7)169-136(226)106-40-27-65-194(106)143(233)109-43-28-66-195(109)140(230)95(36-17-21-59-152)181-121(211)87(35-16-20-58-151)175-134(224)103(74-197)188-127(217)93(48-54-115(204)205)177-119(209)86(34-15-19-57-150)172-120(210)88(37-22-60-165-146(158)159)173-123(213)90(44-50-110(154)199)176-125(215)92(46-52-112(156)201)180-139(229)117(80(5)6)191-128(218)89(38-23-61-166-147(160)161)174-124(214)91(45-51-111(155)200)178-132(222)101(70-84-72-164-77-168-84)187-126(216)94(49-55-116(206)207)179-137(227)107-41-26-64-193(107)142(232)104(75-198)189-130(220)99(68-79(3)4)185-131(221)100(69-82-29-10-8-11-30-82)186-135(225)105(76-237-145(236)83-31-12-9-13-32-83)190-133(223)102(73-196)170-114(203)71-153/h8-13,29-32,72,77-81,85-109,117,196-198H,14-28,33-71,73-76,149-153H2,1-7H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H,164,168)(H,169,226)(H,170,203)(H,171,208)(H,172,210)(H,173,213)(H,174,214)(H,175,224)(H,176,215)(H,177,209)(H,178,222)(H,179,227)(H,180,229)(H,181,211)(H,182,219)(H,183,228)(H,184,212)(H,185,221)(H,186,225)(H,187,216)(H,188,217)(H,189,220)(H,190,223)(H,191,218)(H,204,205)(H,206,207)(H,234,235)(H4,158,159,165)(H4,160,161,166)(H4,162,163,167)/t81-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106?,107+,108?,109?,117-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50094199
(CHEMBL3585976)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H23N5O4/c22-17-7-5-6-8-18(17)23-19(27)9-3-1-2-4-10-20-24-21(25-30-20)15-11-13-16(14-12-15)26(28)29/h5-8,11-14H,1-4,9-10,22H2,(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC2 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50094218
(CHEMBL3585985)Show InChI InChI=1S/C30H48O2/c1-3-4-5-6-7-8-9-10-11-12-19-30(32)21-18-28-27-15-13-23-22-24(31)14-16-25(23)26(27)17-20-29(28,30)2/h14,16,22,26-28,31-32H,3-13,15,17-21H2,1-2H3/t26?,27?,28?,29-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC1 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50094197
(CHEMBL3585974)Show SMILES Nc1ccccc1NC(=O)CCCCCCc1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-13-11-15(12-14-16)21-25-20(28-26-21)10-4-2-1-3-9-19(27)24-18-8-6-5-7-17(18)23/h5-8,11-14H,1-4,9-10,23H2,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant HDAC8 (unknown origin) incubated for 10 mins using Boc-Lys(acetyl)-AMC fluorogenic substrate by homogeneous fluorescence re... |
Bioorg Med Chem 23: 3457-71 (2015)
Article DOI: 10.1016/j.bmc.2015.04.028
BindingDB Entry DOI: 10.7270/Q2W95BXX |
More data for this
Ligand-Target Pair | |
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