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Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'mizukami' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proteasome component C5


(Homo sapiens (Human))
BDBM50444909
PNG
(CHEMBL3099618)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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340n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate Linewea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444909
PNG
(CHEMBL3099618)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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580n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogeni...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444908
PNG
(CHEMBL3099624)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6]/c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C36H46N2O2/c1-2-9-23-37(22-8-1)26-28-39-34-18-14-32(15-19-34)36(30-31-12-6-5-7-13-31)33-16-20-35(21-17-33)40-29-27-38-24-10-3-4-11-25-38/h5-7,12-21,30H,1-4,8-11,22-29H2
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670n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate Linewea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444908
PNG
(CHEMBL3099624)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6]/c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C36H46N2O2/c1-2-9-23-37(22-8-1)26-28-39-34-18-14-32(15-19-34)36(30-31-12-6-5-7-13-31)33-16-20-35(21-17-33)40-29-27-38-24-10-3-4-11-25-38/h5-7,12-21,30H,1-4,8-11,22-29H2
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870n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogeni...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444888
PNG
(CHEMBL3099621)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2
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1.02E+3n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Competitive inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate Linewea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444888
PNG
(CHEMBL3099621)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2
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1.10E+3n/an/an/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogeni...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|
Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399672
PNG
(CHEMBL2178342)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CSc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
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n/an/a 70n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399673
PNG
(CHEMBL2178343)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccsc2)nn1
Show InChI InChI=1S/C15H14N4O2S/c20-15(17-21)13-3-1-2-12(8-13)14-9-19(18-16-14)6-4-11-5-7-22-10-11/h1-3,5,7-10,21H,4,6H2,(H,17,20)
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n/an/a 100n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50069985
PNG
((S)-4-methyl-2-(3-phenyl-propionylamino)-pentanoic...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|
Show InChI InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399674
PNG
(CHEMBL2178344)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(CCc2ccccc2)nn1
Show InChI InChI=1S/C17H16N4O2/c22-17(19-23)15-8-4-7-14(11-15)16-12-21(20-18-16)10-9-13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,19,22)
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n/an/a 180n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50324535
PNG
(3-{[9-(Dimethylamino)nonanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-8-6-4-3-5-7-9-13(17)16(20)12-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 200n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin)


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50444899
PNG
(CHEMBL3099640)
Show SMILES C(CN1CCCCCC1)Oc1ccc(cc1)C1(CCCCC1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C34H50N2O2/c1-2-9-23-35(22-8-1)26-28-37-32-16-12-30(13-17-32)34(20-6-5-7-21-34)31-14-18-33(19-15-31)38-29-27-36-24-10-3-4-11-25-36/h12-19H,1-11,20-29H2
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n/an/a 200n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
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)
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n/an/a 210n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
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)
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n/an/a 270n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151585
PNG
(CHEMBL3774476)
Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
Show InChI InChI=1/C149H267N69O37/c1-75(2)67-95(207-123(240)91(39-21-63-192-178)203-130(247)101(73-220)212-124(241)90(37-19-61-190-148(174)175)196-114(231)81-28-10-51-179-81)128(245)215-110(76(3)4)135(252)204-92(38-20-62-191-149(176)177)122(239)206-94(27-6-8-50-180-113(230)82(29-11-53-182-140(158)159)195-116(233)84(31-13-55-184-142(162)163)198-118(235)86(33-15-57-186-144(166)167)200-120(237)88(35-17-59-188-146(170)171)201-119(236)87(34-16-58-187-145(168)169)199-117(234)85(32-14-56-185-143(164)165)197-115(232)83(30-12-54-183-141(160)161)194-112(229)79(151)25-9-52-181-139(156)157)137(254)217-65-23-42-105(217)134(251)214-102(74-221)131(248)211-99(71-109(226)227)138(255)218-66-24-41-104(218)133(250)209-97(69-107(153)224)126(243)202-89(36-18-60-189-147(172)173)121(238)205-93(26-5-7-49-150)136(253)216-64-22-40-103(216)132(249)210-98(70-108(154)225)127(244)208-96(68-77-43-45-78(222)46-44-77)125(242)213-100(72-219)129(246)193-80(111(155)228)47-48-106(152)223/h43-46,75-76,79-105,110,179,192,219-222H,5-42,47-74,150-151,178H2,1-4H3,(H2,152,223)(H2,153,224)(H2,154,225)(H2,155,228)(H,180,230)(H,193,246)(H,194,229)(H,195,233)(H,196,231)(H,197,232)(H,198,235)(H,199,234)(H,200,237)(H,201,236)(H,202,243)(H,203,247)(H,204,252)(H,205,238)(H,206,239)(H,207,240)(H,208,244)(H,209,250)(H,210,249)(H,211,248)(H,212,241)(H,213,242)(H,214,251)(H,215,245)(H,226,227)(H4,156,157,181)(H4,158,159,182)(H4,160,161,183)(H4,162,163,184)(H4,164,165,185)(H4,166,167,186)(H4,168,169,187)(H4,170,171,188)(H4,172,173,189)(H4,174,175,190)(H4,176,177,191)
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n/an/a 280n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me...


J Med Chem 59: 1531-44 (2016)


BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50444904
PNG
(CHEMBL3099622)
Show SMILES [#6]-[#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C39H52N2O2/c1-2-14-38(33-15-8-7-9-16-33)39(34-17-21-36(22-18-34)42-31-29-40-25-10-3-4-11-26-40)35-19-23-37(24-20-35)43-32-30-41-27-12-5-6-13-28-41/h7-9,15-24H,2-6,10-14,25-32H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151584
PNG
(CHEMBL3775613)
Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
Show InChI InChI=1/C155H278N70O40/c1-80(2)71-100(214-129(248)96(39-21-63-199-184)210-136(255)106(77-227)219-130(249)95(37-19-61-197-154(180)181)203-120(239)86-28-10-51-185-86)134(253)222-116(81(3)4)141(260)211-97(38-20-62-198-155(182)183)128(247)213-99(27-6-8-50-186-114(233)79-265-70-69-264-68-64-187-119(238)87(29-11-53-189-146(164)165)202-122(241)89(31-13-55-191-148(168)169)205-124(243)91(33-15-57-193-150(172)173)207-126(245)93(35-17-59-195-152(176)177)208-125(244)92(34-16-58-194-151(174)175)206-123(242)90(32-14-56-192-149(170)171)204-121(240)88(30-12-54-190-147(166)167)201-118(237)84(157)25-9-52-188-145(162)163)143(262)224-66-23-42-110(224)140(259)221-107(78-228)137(256)218-104(75-115(234)235)144(263)225-67-24-41-109(225)139(258)216-102(73-112(159)231)132(251)209-94(36-18-60-196-153(178)179)127(246)212-98(26-5-7-49-156)142(261)223-65-22-40-108(223)138(257)217-103(74-113(160)232)133(252)215-101(72-82-43-45-83(229)46-44-82)131(250)220-105(76-226)135(254)200-85(117(161)236)47-48-111(158)230/h43-46,80-81,84-110,116,185,199,226-229H,5-42,47-79,156-157,184H2,1-4H3,(H2,158,230)(H2,159,231)(H2,160,232)(H2,161,236)(H,186,233)(H,187,238)(H,200,254)(H,201,237)(H,202,241)(H,203,239)(H,204,240)(H,205,243)(H,206,242)(H,207,245)(H,208,244)(H,209,251)(H,210,255)(H,211,260)(H,212,246)(H,213,247)(H,214,248)(H,215,252)(H,216,258)(H,217,257)(H,218,256)(H,219,249)(H,220,250)(H,221,259)(H,222,253)(H,234,235)(H4,162,163,188)(H4,164,165,189)(H4,166,167,190)(H4,168,169,191)(H4,170,171,192)(H4,172,173,193)(H4,174,175,194)(H4,176,177,195)(H4,178,179,196)(H4,180,181,197)(H4,182,183,198)
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Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me...


J Med Chem 59: 1531-44 (2016)


BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50121213
PNG
(CHEMBL3622371)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1/C29H33N3O2/c33-28(24-16-8-3-9-17-24)32-26(29(34)31-21-22-12-4-1-5-13-22)18-10-11-19-30-27-20-25(27)23-14-6-2-7-15-23/h1-9,12-17,25-27,30H,10-11,18-21H2,(H,31,34)(H,32,33)/t25?,26-,27?/s2
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n/an/a 300n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50397360
PNG
(CHEMBL2170177 | US10188756, Compound CN110)
Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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n/an/a 310n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151583
PNG
(CHEMBL3774920)
Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCNC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)CCCNC(N)=N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
Show InChI InChI=1/C149H267N69O37/c1-75(2)67-95(207-123(240)91(39-21-63-192-178)203-130(247)101(73-220)212-124(241)90(37-19-61-190-148(174)175)196-114(231)81-28-10-51-179-81)128(245)215-110(76(3)4)135(252)204-92(38-20-62-191-149(176)177)122(239)205-93(26-5-7-49-150)136(253)217-65-23-42-105(217)134(251)214-102(74-221)131(248)211-99(71-109(226)227)138(255)218-66-24-41-104(218)133(250)209-97(69-107(153)224)126(243)202-89(36-18-60-189-147(172)173)121(238)206-94(137(254)216-64-22-40-103(216)132(249)210-98(70-108(154)225)127(244)208-96(68-77-43-45-78(222)46-44-77)125(242)213-100(72-219)129(246)193-80(111(155)228)47-48-106(152)223)27-6-8-50-180-113(230)82(29-11-53-182-140(158)159)195-116(233)84(31-13-55-184-142(162)163)198-118(235)86(33-15-57-186-144(166)167)200-120(237)88(35-17-59-188-146(170)171)201-119(236)87(34-16-58-187-145(168)169)199-117(234)85(32-14-56-185-143(164)165)197-115(232)83(30-12-54-183-141(160)161)194-112(229)79(151)25-9-52-181-139(156)157/h43-46,75-76,79-105,110,179,192,219-222H,5-42,47-74,150-151,178H2,1-4H3,(H2,152,223)(H2,153,224)(H2,154,225)(H2,155,228)(H,180,230)(H,193,246)(H,194,229)(H,195,233)(H,196,231)(H,197,232)(H,198,235)(H,199,234)(H,200,237)(H,201,236)(H,202,243)(H,203,247)(H,204,252)(H,205,239)(H,206,238)(H,207,240)(H,208,244)(H,209,250)(H,210,249)(H,211,248)(H,212,241)(H,213,242)(H,214,251)(H,215,245)(H,226,227)(H4,156,157,181)(H4,158,159,182)(H4,160,161,183)(H4,162,163,184)(H4,164,165,185)(H4,166,167,186)(H4,168,169,187)(H4,170,171,188)(H4,172,173,189)(H4,174,175,190)(H4,176,177,191)
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n/an/a 320n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me...


J Med Chem 59: 1531-44 (2016)


BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50444909
PNG
(CHEMBL3099618)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444889
PNG
(CHEMBL3099620)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](/[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C42H56N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5,7-8,15-16,19-26,36H,1-4,6,9-14,17-18,27-34H2
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n/an/a 350n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50399675
PNG
(CHEMBL2178345)
Show SMILES ONC(=O)c1cccc(c1)-c1cn(Cc2ccccc2)nn1
Show InChI InChI=1S/C16H14N4O2/c21-16(18-22)14-8-4-7-13(9-14)15-11-20(19-17-15)10-12-5-2-1-3-6-12/h1-9,11,22H,10H2,(H,18,21)
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n/an/a 350n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50444907
PNG
(CHEMBL3099623)
Show SMILES [#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C37H48N2O2/c1-31(32-13-7-6-8-14-32)37(33-15-19-35(20-16-33)40-29-27-38-23-9-2-3-10-24-38)34-17-21-36(22-18-34)41-30-28-39-25-11-4-5-12-26-39/h6-8,13-22H,2-5,9-12,23-30H2,1H3
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n/an/a 360n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444888
PNG
(CHEMBL3099621)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C42H50N2O2/c1-2-12-28-43(27-11-1)31-33-45-39-23-19-37(20-24-39)42(41(35-15-7-5-8-16-35)36-17-9-6-10-18-36)38-21-25-40(26-22-38)46-34-32-44-29-13-3-4-14-30-44/h5-10,15-26H,1-4,11-14,27-34H2
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n/an/a 370n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444908
PNG
(CHEMBL3099624)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6]/c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C36H46N2O2/c1-2-9-23-37(22-8-1)26-28-39-34-18-14-32(15-19-34)36(30-31-12-6-5-7-13-31)33-16-20-35(21-17-33)40-29-27-38-24-10-3-4-11-25-38/h5-7,12-21,30H,1-4,8-11,22-29H2
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n/an/a 370n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140044
PNG
(CHEMBL3764353)
Show SMILES Clc1ccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 |r|
Show InChI InChI=1/C35H36ClN3O2/c36-30-20-14-25(15-21-30)24-38-35(41)32(13-7-8-22-37-33-23-31(33)28-11-5-2-6-12-28)39-34(40)29-18-16-27(17-19-29)26-9-3-1-4-10-26/h1-6,9-12,14-21,31-33,37H,7-8,13,22-24H2,(H,38,41)(H,39,40)/t31?,32-,33?/s2
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n/an/a 410n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50131110
PNG
(CHEMBL437226 | Cyclic peptide analogue)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CO)N[C@H]1CC(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)NCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)N1)C(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C79H120N22O22S3/c1-38(2)25-52(78(121)101-22-14-17-55(101)72(115)95-54(36-124)71(114)98-64(40(5)6)75(118)99-63(39(3)4)74(117)92-48(79(122)123)20-24-126-10)90-61(107)33-84-66(109)47(19-23-125-9)91-70(113)53(35-102)88-58-29-59(105)83-32-60(106)89-51(28-57(80)104)69(112)93-49(26-43-30-82-46-16-12-11-15-45(43)46)68(111)94-50(27-44-31-81-37-86-44)67(110)85-34-62(108)97-65(42(8)103)76(119)87-41(7)77(120)100-21-13-18-56(100)73(116)96-58/h11-12,15-16,30-31,37-42,47-56,58,63-65,82,88,102-103,124H,13-14,17-29,32-36H2,1-10H3,(H2,80,104)(H,81,86)(H,83,105)(H,84,109)(H,85,110)(H,87,119)(H,89,106)(H,90,107)(H,91,113)(H,92,117)(H,93,112)(H,94,111)(H,95,115)(H,96,116)(H,97,108)(H,98,114)(H,99,118)(H,122,123)/t41-,42+,47-,48-,49-,50+,51+,52-,53-,54-,55+,56+,58+,63-,64-,65+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Farnesyltransferase by Scintillation Proximity Assay


Bioorg Med Chem Lett 13: 2583-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KK9B5J
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444909
PNG
(CHEMBL3099618)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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n/an/a 430n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151587
PNG
(CHEMBL3774486)
Show SMILES CC(C)CC(NC(=O)C(CCCNN)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(C(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(N)=O
Show InChI InChI=1/C101H171N37O29/c1-51(2)43-63(127-83(152)59(23-13-39-119-114)123-90(159)69(49-140)132-84(153)58(21-11-37-117-100(110)111)121-80(149)56-19-9-35-115-56)88(157)135-78(52(3)4)95(164)124-60(22-12-38-118-101(112)113)82(151)126-62(18-6-8-34-103)97(166)137-41-15-26-73(137)94(163)134-70(50-141)91(160)131-67(47-77(146)147)98(167)138-42-16-25-72(138)93(162)129-65(45-75(105)144)86(155)122-57(20-10-36-116-99(108)109)81(150)125-61(17-5-7-33-102)96(165)136-40-14-24-71(136)92(161)130-66(46-76(106)145)87(156)128-64(44-53-27-29-54(142)30-28-53)85(154)133-68(48-139)89(158)120-55(79(107)148)31-32-74(104)143/h27-30,51-52,55-73,78,115,119,139-142H,5-26,31-50,102-103,114H2,1-4H3,(H2,104,143)(H2,105,144)(H2,106,145)(H2,107,148)(H,120,158)(H,121,149)(H,122,155)(H,123,159)(H,124,164)(H,125,150)(H,126,151)(H,127,152)(H,128,156)(H,129,162)(H,130,161)(H,131,160)(H,132,153)(H,133,154)(H,134,163)(H,135,157)(H,146,147)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)
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n/an/a 440n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me...


J Med Chem 59: 1531-44 (2016)


BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140043
PNG
(CHEMBL3765529)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1/C35H37N3O2/c39-34(30-21-19-28(20-22-30)27-14-6-2-7-15-27)38-32(35(40)37-25-26-12-4-1-5-13-26)18-10-11-23-36-33-24-31(33)29-16-8-3-9-17-29/h1-9,12-17,19-22,31-33,36H,10-11,18,23-25H2,(H,37,40)(H,38,39)/t31?,32-,33?/s2
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n/an/a 480n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140045
PNG
(CHEMBL3764836)
Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
Show InChI InChI=1/C36H36F3N3O2/c37-36(38,39)30-15-9-10-25(22-30)24-41-35(44)32(16-7-8-21-40-33-23-31(33)28-13-5-2-6-14-28)42-34(43)29-19-17-27(18-20-29)26-11-3-1-4-12-26/h1-6,9-15,17-20,22,31-33,40H,7-8,16,21,23-24H2,(H,41,44)(H,42,43)/t31?,32-,33?/s2
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n/an/a 580n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444908
PNG
(CHEMBL3099624)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6]/c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C36H46N2O2/c1-2-9-23-37(22-8-1)26-28-39-34-18-14-32(15-19-34)36(30-31-12-6-5-7-13-31)33-16-20-35(21-17-33)40-29-27-38-24-10-3-4-11-25-38/h5-7,12-21,30H,1-4,8-11,22-29H2
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n/an/a 580n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151588
PNG
(CHEMBL3775735)
Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r|
Show InChI InChI=1/C23H28N2O2/c26-23(27)20-8-6-18(7-9-20)16-25-12-10-17(11-13-25)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24H,10-16H2,(H,26,27)/t21-,22+/s2
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n/an/a 610n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal His-tagged human recombinant LSD1 (1 to 852 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me...


J Med Chem 59: 1531-44 (2016)


BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444906
PNG
(CHEMBL3099636)
Show SMILES C(CN1CCCCCC1)Oc1ccc(Cc2ccc(OCCN3CCCCCC3)cc2)cc1
Show InChI InChI=1S/C29H42N2O2/c1-2-6-18-30(17-5-1)21-23-32-28-13-9-26(10-14-28)25-27-11-15-29(16-12-27)33-24-22-31-19-7-3-4-8-20-31/h9-16H,1-8,17-25H2
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n/an/a 630n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444909
PNG
(CHEMBL3099618)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C38H50N2O2/c1-2-37(32-14-8-7-9-15-32)38(33-16-20-35(21-17-33)41-30-28-39-24-10-3-4-11-25-39)34-18-22-36(23-19-34)42-31-29-40-26-12-5-6-13-27-40/h7-9,14-23H,2-6,10-13,24-31H2,1H3
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n/an/a 640n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444906
PNG
(CHEMBL3099636)
Show SMILES C(CN1CCCCCC1)Oc1ccc(Cc2ccc(OCCN3CCCCCC3)cc2)cc1
Show InChI InChI=1S/C29H42N2O2/c1-2-6-18-30(17-5-1)21-23-32-28-13-9-26(10-14-28)25-27-11-15-29(16-12-27)33-24-22-31-19-7-3-4-8-20-31/h9-16H,1-8,17-25H2
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n/an/a 670n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50444908
PNG
(CHEMBL3099624)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6]/c1ccccc1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C36H46N2O2/c1-2-9-23-37(22-8-1)26-28-39-34-18-14-32(15-19-34)36(30-31-12-6-5-7-13-31)33-16-20-35(21-17-33)40-29-27-38-24-10-3-4-11-25-38/h5-7,12-21,30H,1-4,8-11,22-29H2
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n/an/a 690n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444901
PNG
(CHEMBL3099638)
Show SMILES CC(C)(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C31H46N2O2/c1-31(2,27-11-15-29(16-12-27)34-25-23-32-19-7-3-4-8-20-32)28-13-17-30(18-14-28)35-26-24-33-21-9-5-6-10-22-33/h11-18H,3-10,19-26H2,1-2H3
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n/an/a 750n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444901
PNG
(CHEMBL3099638)
Show SMILES CC(C)(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C31H46N2O2/c1-31(2,27-11-15-29(16-12-27)34-25-23-32-19-7-3-4-8-20-32)28-13-17-30(18-14-28)35-26-24-33-21-9-5-6-10-22-33/h11-18H,3-10,19-26H2,1-2H3
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n/an/a 770n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
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)
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n/an/a 780n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 by fluorometric assay


J Med Chem 55: 9562-75 (2012)


Article DOI: 10.1021/jm300837y
BindingDB Entry DOI: 10.7270/Q25X2B3Q
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444885
PNG
(CHEMBL3099637)
Show SMILES CC(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C30H44N2O2/c1-26(27-10-14-29(15-11-27)33-24-22-31-18-6-2-3-7-19-31)28-12-16-30(17-13-28)34-25-23-32-20-8-4-5-9-21-32/h10-17,26H,2-9,18-25H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50324535
PNG
(3-{[9-(Dimethylamino)nonanoyl](hydroxy)amino}propa...)
Show SMILES CN(C)CCCCCCCCC(=O)N(O)CCC(O)=O
Show InChI InChI=1S/C14H28N2O4/c1-15(2)11-8-6-4-3-5-7-9-13(17)16(20)12-10-14(18)19/h20H,3-12H2,1-2H3,(H,18,19)
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n/an/a 800n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A (unknown origin) using H3K9me3 peptide and 2-oxoglutarate as substrate after 1 hr by FDH-coupled assay


J Med Chem 56: 7222-31 (2013)


Article DOI: 10.1021/jm400624b
BindingDB Entry DOI: 10.7270/Q2SB475V
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444885
PNG
(CHEMBL3099637)
Show SMILES CC(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C30H44N2O2/c1-26(27-10-14-29(15-11-27)33-24-22-31-18-6-2-3-7-19-31)28-12-16-30(17-13-28)34-25-23-32-20-8-4-5-9-21-32/h10-17,26H,2-9,18-25H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444903
PNG
(CHEMBL3099631)
Show SMILES [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C34H50N2O2/c1-3-29(4-2)34(30-13-17-32(18-14-30)37-27-25-35-21-9-5-6-10-22-35)31-15-19-33(20-16-31)38-28-26-36-23-11-7-8-12-24-36/h13-20H,3-12,21-28H2,1-2H3
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n/an/a 840n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444907
PNG
(CHEMBL3099623)
Show SMILES [#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C37H48N2O2/c1-31(32-13-7-6-8-14-32)37(33-15-19-35(20-16-33)40-29-27-38-23-9-2-3-10-24-38)34-17-21-36(22-18-34)41-30-28-39-25-11-4-5-12-26-39/h6-8,13-22H,2-5,9-12,23-30H2,1H3
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n/an/a 870n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50444905
PNG
(CHEMBL3099635)
Show SMILES C=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C30H42N2O2/c1-26(27-10-14-29(15-11-27)33-24-22-31-18-6-2-3-7-19-31)28-12-16-30(17-13-28)34-25-23-32-20-8-4-5-9-21-32/h10-17H,1-9,18-25H2
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n/an/a 880n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of trypsin-like activity of human 20S proteasome beta 2 subunit assessed as hydrolysis of Boc-LRR-AMC fluorogenic substrate measured for 1...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50444898
PNG
(CHEMBL3099625)
Show SMILES [#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C35H50N2O2/c1-2-9-23-36(22-8-1)26-28-38-33-18-14-31(15-19-33)35(30-12-6-5-7-13-30)32-16-20-34(21-17-32)39-29-27-37-24-10-3-4-11-25-37/h14-21H,1-13,22-29H2
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n/an/a 890n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PGPH-like activity of human 20S proteasome beta 1 subunit assessed as hydrolysis of Z-LLE-AMC fluorogenic substrate measured for 1 hr b...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444907
PNG
(CHEMBL3099623)
Show SMILES [#6]\[#6](=[#6](/c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1)-c1ccccc1
Show InChI InChI=1S/C37H48N2O2/c1-31(32-13-7-6-8-14-32)37(33-15-19-35(20-16-33)40-29-27-38-23-9-2-3-10-24-38)34-17-21-36(22-18-34)41-30-28-39-25-11-4-5-12-26-39/h6-8,13-22H,2-5,9-12,23-30H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Institute of Bio-Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as hydrolysis of succinyl-LLVY-AMC fluorogenic substrate mea...


Eur J Med Chem 71: 290-305 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.009
BindingDB Entry DOI: 10.7270/Q2222W81
More data for this
Ligand-Target Pair
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