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PubMed code 26700437

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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=1S/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)/t79-,80-,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-,110-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
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=1S/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)/t84-,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-,110-,116-/m0/s1
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n/an/a 290n/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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
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=1S/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)/t79-,80-,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-,110-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
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=1S/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)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68?,69-,70-,71-,72-,73-,78-/m0/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
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
Show InChI InChI=1S/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+/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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=1S/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)/t79-,80-,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-,110-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.05E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using H3K4me3 peptide substrate preincubated for 5 mins followed by substrate addition by MALDI-TOF mass spect...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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=1S/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)/t79-,80-,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-,110-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.74E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using H3K4me3 peptide substrate preincubated for 5 mins followed by substrate addition by MALDI-TOF mass spect...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens)
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=1S/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)/t79-,80-,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-,110-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.51E+3n/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 LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide su...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151586
PNG
(CHEMBL3774631)
Show SMILES CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)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=1S/C102H173N37O29/c1-52(2)44-64(128-84(153)60(24-14-40-120-115-5)124-91(160)70(50-141)133-85(154)59(22-12-38-118-101(111)112)122-81(150)57-20-10-36-116-57)89(158)136-79(53(3)4)96(165)125-61(23-13-39-119-102(113)114)83(152)127-63(19-7-9-35-104)98(167)138-42-16-27-74(138)95(164)135-71(51-142)92(161)132-68(48-78(147)148)99(168)139-43-17-26-73(139)94(163)130-66(46-76(106)145)87(156)123-58(21-11-37-117-100(109)110)82(151)126-62(18-6-8-34-103)97(166)137-41-15-25-72(137)93(162)131-67(47-77(107)146)88(157)129-65(45-54-28-30-55(143)31-29-54)86(155)134-69(49-140)90(159)121-56(80(108)149)32-33-75(105)144/h28-31,52-53,56-74,79,115-116,120,140-143H,6-27,32-51,103-104H2,1-5H3,(H2,105,144)(H2,106,145)(H2,107,146)(H2,108,149)(H,121,159)(H,122,150)(H,123,156)(H,124,160)(H,125,165)(H,126,151)(H,127,152)(H,128,153)(H,129,157)(H,130,163)(H,131,162)(H,132,161)(H,133,154)(H,134,155)(H,135,164)(H,136,158)(H,147,148)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,70-,71-,72-,73-,74-,79-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.40E+3n/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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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=1S/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)/t84-,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-,110-,116-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using H3K4me3 peptide substrate preincubated for 5 mins followed by substrate addition by MALDI-TOF mass spect...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens)
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=1S/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)/t79-,80-,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-,110-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.32E+4n/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 LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide su...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151590
PNG
(CHEMBL3774901)
Show SMILES CC(C)CC(NC(=O)C(CCCN(C)CC#C)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=1S/C105H174N36O29/c1-7-42-138(6)43-16-26-64(125-94(162)73(53-143)134-88(156)62(24-14-40-120-104(114)115)123-84(152)60-22-12-38-118-60)87(155)129-67(47-55(2)3)92(160)137-82(56(4)5)99(167)126-63(25-15-41-121-105(116)117)86(154)128-66(21-9-11-37-107)101(169)140-45-18-29-77(140)98(166)136-74(54-144)95(163)133-71(51-81(149)150)102(170)141-46-19-28-76(141)97(165)131-69(49-79(109)147)90(158)124-61(23-13-39-119-103(112)113)85(153)127-65(20-8-10-36-106)100(168)139-44-17-27-75(139)96(164)132-70(50-80(110)148)91(159)130-68(48-57-30-32-58(145)33-31-57)89(157)135-72(52-142)93(161)122-59(83(111)151)34-35-78(108)146/h1,30-33,55-56,59-77,82,118,142-145H,8-29,34-54,106-107H2,2-6H3,(H2,108,146)(H2,109,147)(H2,110,148)(H2,111,151)(H,122,161)(H,123,152)(H,124,158)(H,125,162)(H,126,167)(H,127,153)(H,128,154)(H,129,155)(H,130,159)(H,131,165)(H,132,164)(H,133,163)(H,134,156)(H,135,157)(H,136,166)(H,137,160)(H,149,150)(H4,112,113,119)(H4,114,115,120)(H4,116,117,121)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72?,73-,74-,75-,76-,77-,82-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens)
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=1S/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)/t84-,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-,110-,116-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.32E+4n/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 LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide su...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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=1S/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)/t79-,80-,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-,110-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(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=1S/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)/t84-,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-,110-,116-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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=1S/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)/t79-,80-,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-,110-/m0/s1
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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(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=1S/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)/t79-,80-,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-,110-/m0/s1
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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=1S/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)/t84-,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-,110-,116-/m0/s1
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UniChem

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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(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=1S/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)/t79-,80-,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-,110-/m0/s1
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50151586
PNG
(CHEMBL3774631)
Show SMILES CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)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=1S/C102H173N37O29/c1-52(2)44-64(128-84(153)60(24-14-40-120-115-5)124-91(160)70(50-141)133-85(154)59(22-12-38-118-101(111)112)122-81(150)57-20-10-36-116-57)89(158)136-79(53(3)4)96(165)125-61(23-13-39-119-102(113)114)83(152)127-63(19-7-9-35-104)98(167)138-42-16-27-74(138)95(164)135-71(51-142)92(161)132-68(48-78(147)148)99(168)139-43-17-26-73(139)94(163)130-66(46-76(106)145)87(156)123-58(21-11-37-117-100(109)110)82(151)126-62(18-6-8-34-103)97(166)137-41-15-25-72(137)93(162)131-67(47-77(107)146)88(157)129-65(45-54-28-30-55(143)31-29-54)86(155)134-69(49-140)90(159)121-56(80(108)149)32-33-75(105)144/h28-31,52-53,56-74,79,115-116,120,140-143H,6-27,32-51,103-104H2,1-5H3,(H2,105,144)(H2,106,145)(H2,107,146)(H2,108,149)(H,121,159)(H,122,150)(H,123,156)(H,124,160)(H,125,165)(H,126,151)(H,127,152)(H,128,153)(H,129,157)(H,130,163)(H,131,162)(H,132,161)(H,133,154)(H,134,155)(H,135,164)(H,136,158)(H,147,148)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,70-,71-,72-,73-,74-,79-/m0/s1
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50151586
PNG
(CHEMBL3774631)
Show SMILES CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)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=1S/C102H173N37O29/c1-52(2)44-64(128-84(153)60(24-14-40-120-115-5)124-91(160)70(50-141)133-85(154)59(22-12-38-118-101(111)112)122-81(150)57-20-10-36-116-57)89(158)136-79(53(3)4)96(165)125-61(23-13-39-119-102(113)114)83(152)127-63(19-7-9-35-104)98(167)138-42-16-27-74(138)95(164)135-71(51-142)92(161)132-68(48-78(147)148)99(168)139-43-17-26-73(139)94(163)130-66(46-76(106)145)87(156)123-58(21-11-37-117-100(109)110)82(151)126-62(18-6-8-34-103)97(166)137-41-15-25-72(137)93(162)131-67(47-77(107)146)88(157)129-65(45-54-28-30-55(143)31-29-54)86(155)134-69(49-140)90(159)121-56(80(108)149)32-33-75(105)144/h28-31,52-53,56-74,79,115-116,120,140-143H,6-27,32-51,103-104H2,1-5H3,(H2,105,144)(H2,106,145)(H2,107,146)(H2,108,149)(H,121,159)(H,122,150)(H,123,156)(H,124,160)(H,125,165)(H,126,151)(H,127,152)(H,128,153)(H,129,157)(H,130,163)(H,131,162)(H,132,161)(H,133,154)(H,134,155)(H,135,164)(H,136,158)(H,147,148)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,70-,71-,72-,73-,74-,79-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(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=1S/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)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68?,69-,70-,71-,72-,73-,78-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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=1S/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)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68?,69-,70-,71-,72-,73-,78-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151589
PNG
(CHEMBL3775045)
Show SMILES CC(C)CC(NC(=O)C(CCCN(CC#C)Cc1ccccc1)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=1S/C111H178N36O29/c1-6-46-144(56-63-22-8-7-9-23-63)47-18-30-70(131-100(168)79(58-149)140-94(162)68(28-16-44-126-110(120)121)129-90(158)66-26-14-42-124-66)93(161)135-73(51-60(2)3)98(166)143-88(61(4)5)105(173)132-69(29-17-45-127-111(122)123)92(160)134-72(25-11-13-41-113)107(175)146-49-20-33-83(146)104(172)142-80(59-150)101(169)139-77(55-87(155)156)108(176)147-50-21-32-82(147)103(171)137-75(53-85(115)153)96(164)130-67(27-15-43-125-109(118)119)91(159)133-71(24-10-12-40-112)106(174)145-48-19-31-81(145)102(170)138-76(54-86(116)154)97(165)136-74(52-62-34-36-64(151)37-35-62)95(163)141-78(57-148)99(167)128-65(89(117)157)38-39-84(114)152/h1,7-9,22-23,34-37,60-61,65-83,88,124,148-151H,10-21,24-33,38-59,112-113H2,2-5H3,(H2,114,152)(H2,115,153)(H2,116,154)(H2,117,157)(H,128,167)(H,129,158)(H,130,164)(H,131,168)(H,132,173)(H,133,159)(H,134,160)(H,135,161)(H,136,165)(H,137,171)(H,138,170)(H,139,169)(H,140,162)(H,141,163)(H,142,172)(H,143,166)(H,155,156)(H4,118,119,125)(H4,120,121,126)(H4,122,123,127)/t65-,66-,67-,68-,69-,70-,71?,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-/m0/s1
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n/an/a 4.00E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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n/an/a 4.10E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(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=1S/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)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68?,69-,70-,71-,72-,73-,78-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using H3K4me3 peptide substrate preincubated for 5 mins followed by substrate addition by MALDI-TOF mass spect...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens)
BDBM50151586
PNG
(CHEMBL3774631)
Show SMILES CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)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=1S/C102H173N37O29/c1-52(2)44-64(128-84(153)60(24-14-40-120-115-5)124-91(160)70(50-141)133-85(154)59(22-12-38-118-101(111)112)122-81(150)57-20-10-36-116-57)89(158)136-79(53(3)4)96(165)125-61(23-13-39-119-102(113)114)83(152)127-63(19-7-9-35-104)98(167)138-42-16-27-74(138)95(164)135-71(51-142)92(161)132-68(48-78(147)148)99(168)139-43-17-26-73(139)94(163)130-66(46-76(106)145)87(156)123-58(21-11-37-117-100(109)110)82(151)126-62(18-6-8-34-103)97(166)137-41-15-25-72(137)93(162)131-67(47-77(107)146)88(157)129-65(45-54-28-30-55(143)31-29-54)86(155)134-69(49-140)90(159)121-56(80(108)149)32-33-75(105)144/h28-31,52-53,56-74,79,115-116,120,140-143H,6-27,32-51,103-104H2,1-5H3,(H2,105,144)(H2,106,145)(H2,107,146)(H2,108,149)(H,121,159)(H,122,150)(H,123,156)(H,124,160)(H,125,165)(H,126,151)(H,127,152)(H,128,153)(H,129,157)(H,130,163)(H,131,162)(H,132,161)(H,133,154)(H,134,155)(H,135,164)(H,136,158)(H,147,148)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,70-,71-,72-,73-,74-,79-/m0/s1
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n/an/a>5.00E+4n/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 LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide su...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens)
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=1S/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)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68?,69-,70-,71-,72-,73-,78-/m0/s1
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n/an/a>5.00E+4n/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 LSD2 (1 to 822 residues) expressed in Escherichia coli BL21(DE3) cells using H3K4me2 peptide su...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM50151586
PNG
(CHEMBL3774631)
Show SMILES CNNCCCC(NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)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=1S/C102H173N37O29/c1-52(2)44-64(128-84(153)60(24-14-40-120-115-5)124-91(160)70(50-141)133-85(154)59(22-12-38-118-101(111)112)122-81(150)57-20-10-36-116-57)89(158)136-79(53(3)4)96(165)125-61(23-13-39-119-102(113)114)83(152)127-63(19-7-9-35-104)98(167)138-42-16-27-74(138)95(164)135-71(51-142)92(161)132-68(48-78(147)148)99(168)139-43-17-26-73(139)94(163)130-66(46-76(106)145)87(156)123-58(21-11-37-117-100(109)110)82(151)126-62(18-6-8-34-103)97(166)137-41-15-25-72(137)93(162)131-67(47-77(107)146)88(157)129-65(45-54-28-30-55(143)31-29-54)86(155)134-69(49-140)90(159)121-56(80(108)149)32-33-75(105)144/h28-31,52-53,56-74,79,115-116,120,140-143H,6-27,32-51,103-104H2,1-5H3,(H2,105,144)(H2,106,145)(H2,107,146)(H2,108,149)(H,121,159)(H,122,150)(H,123,156)(H,124,160)(H,125,165)(H,126,151)(H,127,152)(H,128,153)(H,129,157)(H,130,163)(H,131,162)(H,132,161)(H,133,154)(H,134,155)(H,135,164)(H,136,158)(H,147,148)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,70-,71-,72-,73-,74-,79-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of JARID1A (unknown origin) using H3K4me3 peptide substrate preincubated for 5 mins followed by substrate addition by MALDI-TOF mass spect...


J Med Chem 59: 1531-44 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50151591
PNG
(CHEMBL3775421)
Show SMILES CC(C)CC(NC(=O)C(CCCCNC1CC1c1ccccc1)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=1S/C111H180N36O29/c1-58(2)49-73(136-93(161)66(23-10-13-41-125-72-51-63(72)61-21-6-5-7-22-61)132-100(168)79(56-149)141-94(162)68(28-16-44-127-110(120)121)130-90(158)65-26-14-42-124-65)98(166)144-88(59(3)4)105(173)133-69(29-17-45-128-111(122)123)92(160)135-71(25-9-12-40-113)107(175)146-47-19-32-83(146)104(172)143-80(57-150)101(169)140-77(54-87(155)156)108(176)147-48-20-31-82(147)103(171)138-75(52-85(115)153)96(164)131-67(27-15-43-126-109(118)119)91(159)134-70(24-8-11-39-112)106(174)145-46-18-30-81(145)102(170)139-76(53-86(116)154)97(165)137-74(50-60-33-35-62(151)36-34-60)95(163)142-78(55-148)99(167)129-64(89(117)157)37-38-84(114)152/h5-7,21-22,33-36,58-59,63-83,88,124-125,148-151H,8-20,23-32,37-57,112-113H2,1-4H3,(H2,114,152)(H2,115,153)(H2,116,154)(H2,117,157)(H,129,167)(H,130,158)(H,131,164)(H,132,168)(H,133,173)(H,134,159)(H,135,160)(H,136,161)(H,137,165)(H,138,171)(H,139,170)(H,140,169)(H,141,162)(H,142,163)(H,143,172)(H,144,166)(H,155,156)(H4,118,119,126)(H4,120,121,127)(H4,122,123,128)/t63-,64+,65+,66+,67+,68+,69+,70?,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,88+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.30E+4n/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)


Article DOI: 10.1021/acs.jmedchem.5b01323
BindingDB Entry DOI: 10.7270/Q2JH3P22
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%