Found 74 hits with Last Name = 'shigenaga' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50151585
(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
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serpin H1
(Mus musculus) | BDBM50320837
(CHEMBL1163302)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C108H161N31O35/c1-55(140)89(124-99(166)66-15-5-25-126(66)81(149)41-116-93(160)75-34-58(143)50-135(75)104(171)70-19-9-29-130(70)86(154)45-120-96(163)77-36-60(145)52-137(77)105(172)69-18-8-28-129(69)84(152)42-117-92(159)73-32-56(141)48-133(73)101(168)64-13-3-22-112-64)100(167)122-47-82(150)125-24-4-14-65(125)98(165)123-63(12-2-23-113-108(110)111)90(157)115-40-83(151)127-26-6-16-67(127)103(170)136-51-59(144)35-76(136)94(161)119-44-87(155)131-30-10-20-71(131)107(174)139-54-62(147)38-79(139)97(164)121-46-88(156)132-31-11-21-72(132)106(173)138-53-61(146)37-78(138)95(162)118-43-85(153)128-27-7-17-68(128)102(169)134-49-57(142)33-74(134)91(158)114-39-80(109)148/h55-79,89,112,140-147H,2-54H2,1H3,(H2,109,148)(H,114,158)(H,115,157)(H,116,160)(H,117,159)(H,118,162)(H,119,161)(H,120,163)(H,121,164)(H,122,167)(H,123,165)(H,124,166)(H4,110,111,113)/t55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,89+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50151588
(CHEMBL3775735)Show SMILES OC(=O)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serpin H1
(Mus musculus) | BDBM50320838
(CHEMBL1163304)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C109H160FN31O34/c110-56-31-74(134(48-56)102(169)67-14-4-24-127(67)85(152)43-120-95(162)78-35-60(145)52-138(78)106(173)71-18-8-28-131(71)89(156)46-123-98(165)79-36-61(146)53-139(79)105(172)70-17-7-27-130(70)86(153)42-119-94(161)75-32-57(142)49-135(75)101(168)65-12-2-21-114-65)92(159)118-41-83(150)126-23-3-13-66(126)100(167)125-64(11-1-22-115-109(112)113)91(158)117-40-84(151)128-25-5-15-68(128)104(171)137-51-59(144)34-77(137)96(163)122-45-88(155)132-29-9-19-72(132)108(175)141-55-63(148)38-81(141)99(166)124-47-90(157)133-30-10-20-73(133)107(174)140-54-62(147)37-80(140)97(164)121-44-87(154)129-26-6-16-69(129)103(170)136-50-58(143)33-76(136)93(160)116-39-82(111)149/h56-81,114,142-148H,1-55H2,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H4,112,113,115)/t56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320839
(CHEMBL2372617)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C110H163N31O34/c111-83(149)42-116-94(160)77-36-59(143)52-136(77)104(170)71-19-8-30-129(71)88(154)47-121-98(164)81-40-63(147)56-140(81)108(174)75-23-12-34-133(75)91(157)50-124-100(166)82-41-64(148)57-141(82)109(175)74-22-11-33-132(74)89(155)48-122-97(163)79-38-60(144)53-137(79)105(171)70-18-7-29-128(70)85(151)43-117-92(158)65(13-3-25-115-110(112)113)125-101(167)68-16-5-27-126(68)84(150)44-118-93(159)67-15-1-2-26-134(67)103(169)69-17-6-28-127(69)86(152)45-120-96(162)78-37-61(145)54-138(78)107(173)73-21-10-32-131(73)90(156)49-123-99(165)80-39-62(146)55-139(80)106(172)72-20-9-31-130(72)87(153)46-119-95(161)76-35-58(142)51-135(76)102(168)66-14-4-24-114-66/h58-82,114,142-148H,1-57H2,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H4,112,113,115)/t58-,59-,60-,61-,62-,63-,64-,65+,66+,67?,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320840
(CHEMBL1163301)Show SMILES C[C@H](N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C108H161N31O34/c1-56(124(2)101(167)67-16-6-26-126(67)84(150)43-118-94(160)76-35-59(142)52-136(76)105(171)71-20-10-30-130(71)88(154)47-121-97(163)78-37-61(144)53-137(78)104(170)70-19-9-29-129(70)85(151)44-117-93(159)74-33-57(140)49-133(74)100(166)65-14-4-23-112-65)90(156)115-41-82(148)125-25-5-15-66(125)99(165)123-64(13-3-24-113-108(110)111)91(157)116-42-83(149)127-27-7-17-68(127)103(169)135-51-60(143)36-77(135)95(161)120-46-87(153)131-31-11-21-72(131)107(173)139-55-63(146)39-80(139)98(164)122-48-89(155)132-32-12-22-73(132)106(172)138-54-62(145)38-79(138)96(162)119-45-86(152)128-28-8-18-69(128)102(168)134-50-58(141)34-75(134)92(158)114-40-81(109)147/h56-80,112,140-146H,3-55H2,1-2H3,(H2,109,147)(H,114,158)(H,115,156)(H,116,157)(H,117,159)(H,118,160)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,165)(H4,110,111,113)/t56-,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320841
(CHEMBL1163305)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C109H161N31O34/c110-82(148)41-115-93(159)76-35-58(142)51-135(76)103(169)70-18-7-28-128(70)87(153)46-120-97(163)80-39-62(146)55-139(80)107(173)74-22-11-32-132(74)90(156)49-123-99(165)81-40-63(147)56-140(81)108(174)73-21-10-31-131(73)88(154)47-121-96(162)78-37-59(143)52-136(78)104(170)69-17-6-27-127(69)84(150)42-116-91(157)64(12-1-24-114-109(111)112)124-100(166)67-15-3-25-125(67)83(149)43-117-92(158)66-14-4-33-133(66)102(168)68-16-5-26-126(68)85(151)44-119-95(161)77-36-60(144)53-137(77)106(172)72-20-9-30-130(72)89(155)48-122-98(164)79-38-61(145)54-138(79)105(171)71-19-8-29-129(71)86(152)45-118-94(160)75-34-57(141)50-134(75)101(167)65-13-2-23-113-65/h57-81,113,141-147H,1-56H2,(H2,110,148)(H,115,159)(H,116,157)(H,117,158)(H,118,160)(H,119,161)(H,120,163)(H,121,162)(H,122,164)(H,123,165)(H,124,166)(H4,111,112,114)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320842
(CHEMBL1163307)Show SMILES CN([C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C108H161N31O35/c1-124(101(168)66-15-5-25-126(66)84(151)42-117-93(160)75-34-58(143)51-136(75)105(172)70-19-9-29-130(70)88(155)46-120-96(163)77-36-60(145)52-137(77)104(171)69-18-8-28-129(69)85(152)43-116-92(159)73-32-56(141)48-133(73)100(167)64-13-3-22-112-64)80(55-140)98(165)122-41-82(149)125-24-4-14-65(125)99(166)123-63(12-2-23-113-108(110)111)90(157)115-40-83(150)127-26-6-16-67(127)103(170)135-50-59(144)35-76(135)94(161)119-45-87(154)131-30-10-20-71(131)107(174)139-54-62(147)38-79(139)97(164)121-47-89(156)132-31-11-21-72(132)106(173)138-53-61(146)37-78(138)95(162)118-44-86(153)128-27-7-17-68(128)102(169)134-49-57(142)33-74(134)91(158)114-39-81(109)148/h56-80,112,140-147H,2-55H2,1H3,(H2,109,148)(H,114,158)(H,115,157)(H,116,159)(H,117,160)(H,118,162)(H,119,161)(H,120,163)(H,121,164)(H,122,165)(H,123,166)(H4,110,111,113)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320843
(CHEMBL1163300)Show SMILES NC(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C108H159N31O34S/c109-81(147)38-114-91(157)74-32-57(141)48-133(74)101(167)67-15-5-25-126(67)85(151)42-117-94(160)77-35-60(144)51-136(77)104(170)70-18-8-28-129(70)87(153)44-120-96(162)78-36-61(145)52-137(78)105(171)69-17-7-27-128(69)86(152)43-118-93(159)75-33-58(142)49-134(75)102(168)66-14-4-24-125(66)83(149)39-115-90(156)63(11-1-22-113-108(110)111)123-99(165)65-13-3-23-124(65)82(148)40-122-98(164)80-54-174-55-139(80)107(173)72-20-10-30-131(72)89(155)46-121-97(163)79-37-62(146)53-138(79)106(172)71-19-9-29-130(71)88(154)45-119-95(161)76-34-59(143)50-135(76)103(169)68-16-6-26-127(68)84(150)41-116-92(158)73-31-56(140)47-132(73)100(166)64-12-2-21-112-64/h56-80,112,140-146H,1-55H2,(H2,109,147)(H,114,157)(H,115,156)(H,116,158)(H,117,160)(H,118,159)(H,119,161)(H,120,162)(H,121,163)(H,122,164)(H,123,165)(H4,110,111,113)/t56-,57+,58-,59-,60-,61-,62-,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79+,80-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320844
(CHEMBL1163303)Show SMILES CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C108H161N31O34/c1-2-63(123-99(165)66-15-5-25-125(66)83(149)43-117-94(160)76-35-58(142)51-135(76)104(170)71-20-10-30-130(71)87(153)47-121-97(163)78-37-60(144)53-137(78)105(171)70-19-9-29-129(70)85(151)44-118-93(159)74-33-56(140)49-133(74)101(167)65-14-4-23-112-65)90(156)115-41-82(148)126-26-6-16-67(126)100(166)124-64(13-3-24-113-108(110)111)91(157)116-42-84(150)127-27-7-17-68(127)103(169)136-52-59(143)36-77(136)95(161)120-46-88(154)131-31-11-21-72(131)107(173)139-55-62(146)39-80(139)98(164)122-48-89(155)132-32-12-22-73(132)106(172)138-54-61(145)38-79(138)96(162)119-45-86(152)128-28-8-18-69(128)102(168)134-50-57(141)34-75(134)92(158)114-40-81(109)147/h56-80,112,140-146H,2-55H2,1H3,(H2,109,147)(H,114,158)(H,115,156)(H,116,157)(H,117,160)(H,118,159)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,165)(H,124,166)(H4,110,111,113)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320871
(CHEMBL1164326)Show SMILES CCC[C@H](N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C110H165N31O34/c1-3-14-67(126(2)103(169)69-18-7-28-128(69)86(152)45-120-96(162)78-37-60(144)54-138(78)107(173)73-22-11-32-132(73)90(156)49-123-99(165)80-39-62(146)55-139(80)106(172)72-21-10-31-131(72)87(153)46-119-95(161)76-35-58(142)51-135(76)102(168)66-16-5-25-114-66)93(159)118-44-84(150)127-27-6-17-68(127)101(167)125-65(15-4-26-115-110(112)113)92(158)117-43-85(151)129-29-8-19-70(129)105(171)137-53-61(145)38-79(137)97(163)122-48-89(155)133-33-12-23-74(133)109(175)141-57-64(148)41-82(141)100(166)124-50-91(157)134-34-13-24-75(134)108(174)140-56-63(147)40-81(140)98(164)121-47-88(154)130-30-9-20-71(130)104(170)136-52-59(143)36-77(136)94(160)116-42-83(111)149/h58-82,114,142-148H,3-57H2,1-2H3,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H4,112,113,115)/t58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50236898
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serpin H1
(Mus musculus) | BDBM50320845
(CHEMBL1165391)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C107H159N31O35/c108-80(147)38-113-91(158)74-32-56(141)48-133(74)101(168)68-16-6-26-127(68)85(152)43-118-95(162)78-36-60(145)52-137(78)105(172)72-20-10-30-131(72)88(155)46-121-97(164)79-37-61(146)53-138(79)106(173)71-19-9-29-130(71)87(154)44-119-94(161)76-34-58(143)50-135(76)102(169)67-15-5-25-126(67)83(150)40-114-89(156)62(11-1-22-112-107(109)110)122-98(165)65-13-3-23-124(65)81(148)39-115-90(157)64(54-139)123-99(166)66-14-4-24-125(66)82(149)41-116-93(160)75-33-57(142)49-134(75)103(170)70-18-8-28-129(70)86(153)45-120-96(163)77-35-59(144)51-136(77)104(171)69-17-7-27-128(69)84(151)42-117-92(159)73-31-55(140)47-132(73)100(167)63-12-2-21-111-63/h55-79,111,139-146H,1-54H2,(H2,108,147)(H,113,158)(H,114,156)(H,115,157)(H,116,160)(H,117,159)(H,118,162)(H,119,161)(H,120,163)(H,121,164)(H,122,165)(H,123,166)(H4,109,110,112)/t55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320872
(CHEMBL1163295)Show SMILES N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C100H149N29O32S/c101-58(50-162)92(154)122-27-9-18-67(122)99(161)129-49-57(136)34-74(129)90(152)113-42-82(144)121-26-8-17-66(121)98(160)128-48-56(135)33-73(128)89(151)111-40-79(141)118-23-5-14-63(118)95(157)124-44-52(131)29-69(124)85(147)108-37-76(138)115-20-2-11-60(115)91(153)114-59(10-1-19-105-100(103)104)83(145)107-36-77(139)116-21-3-12-61(116)94(156)125-45-53(132)30-70(125)86(148)110-39-80(142)119-24-6-15-64(119)97(159)127-47-55(134)32-72(127)88(150)112-41-81(143)120-25-7-16-65(120)96(158)126-46-54(133)31-71(126)87(149)109-38-78(140)117-22-4-13-62(117)93(155)123-43-51(130)28-68(123)84(146)106-35-75(102)137/h51-74,130-136,162H,1-50,101H2,(H2,102,137)(H,106,146)(H,107,145)(H,108,147)(H,109,149)(H,110,148)(H,111,151)(H,112,150)(H,113,152)(H,114,153)(H4,103,104,105)/t51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320846
(CHEMBL1165392)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C107H159N31O34S/c108-80(146)38-113-91(157)74-32-56(140)48-133(74)101(167)68-16-6-26-127(68)85(151)43-118-95(161)78-36-60(144)52-137(78)105(171)72-20-10-30-131(72)88(154)46-121-97(163)79-37-61(145)53-138(79)106(172)71-19-9-29-130(71)87(153)44-119-94(160)76-34-58(142)50-135(76)102(168)67-15-5-25-126(67)83(149)40-114-89(155)62(11-1-22-112-107(109)110)122-98(164)65-13-3-23-124(65)81(147)39-115-90(156)64(54-173)123-99(165)66-14-4-24-125(66)82(148)41-116-93(159)75-33-57(141)49-134(75)103(169)70-18-8-28-129(70)86(152)45-120-96(162)77-35-59(143)51-136(77)104(170)69-17-7-27-128(69)84(150)42-117-92(158)73-31-55(139)47-132(73)100(166)63-12-2-21-111-63/h55-79,111,139-145,173H,1-54H2,(H2,108,146)(H,113,157)(H,114,155)(H,115,156)(H,116,159)(H,117,158)(H,118,161)(H,119,160)(H,120,162)(H,121,163)(H,122,164)(H,123,165)(H4,109,110,112)/t55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320847
(CHEMBL1163318)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C108H159N31O34/c109-81(147)40-114-92(158)75-34-57(141)50-134(75)102(168)69-16-6-27-127(69)86(152)45-119-96(162)79-38-61(145)54-138(79)106(172)73-20-10-31-131(73)89(155)48-122-98(164)80-39-62(146)55-139(80)107(173)72-19-9-30-130(72)87(153)46-120-95(161)77-36-58(142)51-135(77)103(169)68-15-5-26-126(68)83(149)41-115-90(156)63(11-1-23-113-108(110)111)123-99(165)65-13-3-24-124(65)82(148)42-116-91(157)66-21-32-132(66)101(167)67-14-4-25-125(67)84(150)43-118-94(160)76-35-59(143)52-136(76)105(171)71-18-8-29-129(71)88(154)47-121-97(163)78-37-60(144)53-137(78)104(170)70-17-7-28-128(70)85(151)44-117-93(159)74-33-56(140)49-133(74)100(166)64-12-2-22-112-64/h56-80,112,140-146H,1-55H2,(H2,109,147)(H,114,158)(H,115,156)(H,116,157)(H,117,159)(H,118,160)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,165)(H4,110,111,113)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50236898
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serpin H1
(Mus musculus) | BDBM50320848
(CHEMBL1163310)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C109H161N31O35/c110-81(149)40-115-92(159)74-34-57(142)50-135(74)103(170)68-16-6-27-128(68)86(154)44-119-96(163)78-38-61(146)54-139(78)107(174)72-20-10-31-132(72)89(157)47-122-98(165)79-39-62(147)55-140(79)108(175)71-19-9-30-131(71)87(155)45-120-95(162)76-36-58(143)51-136(76)104(171)67-15-5-26-127(67)83(151)41-116-91(158)63(11-1-23-114-109(111)112)124-99(166)65-13-3-24-125(65)82(150)48-123-100(167)90-80(148)21-32-133(90)102(169)66-14-4-25-126(66)84(152)42-118-94(161)75-35-59(144)52-137(75)106(173)70-18-8-29-130(70)88(156)46-121-97(164)77-37-60(145)53-138(77)105(172)69-17-7-28-129(69)85(153)43-117-93(160)73-33-56(141)49-134(73)101(168)64-12-2-22-113-64/h56-80,90,113,141-148H,1-55H2,(H2,110,149)(H,115,159)(H,116,158)(H,117,160)(H,118,161)(H,119,163)(H,120,162)(H,121,164)(H,122,165)(H,123,167)(H,124,166)(H4,111,112,114)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,90+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320849
(CHEMBL1163311)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C109H161N31O35/c110-82(149)39-115-92(159)75-32-57(142)49-134(75)102(169)68-15-5-25-127(68)86(153)43-119-96(163)79-36-61(146)53-138(79)106(173)72-19-9-29-131(72)90(157)47-123-99(166)81-38-63(148)55-140(81)107(174)71-18-8-28-130(71)88(155)44-120-95(162)77-34-59(144)51-136(77)103(170)67-14-4-24-126(67)84(151)40-116-91(158)64(11-1-22-114-109(111)112)124-100(167)66-13-3-23-125(66)83(150)41-117-94(161)76-33-58(143)50-135(76)104(171)70-17-7-27-129(70)87(154)45-121-98(165)80-37-62(147)54-139(80)108(175)73-20-10-30-132(73)89(156)46-122-97(164)78-35-60(145)52-137(78)105(172)69-16-6-26-128(69)85(152)42-118-93(160)74-31-56(141)48-133(74)101(168)65-12-2-21-113-65/h56-81,113,141-148H,1-55H2,(H2,110,149)(H,115,159)(H,116,158)(H,117,161)(H,118,160)(H,119,163)(H,120,162)(H,121,165)(H,122,164)(H,123,166)(H,124,167)(H4,111,112,114)/t56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50151583
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.05E+3 | n/a | n/a | n/a | n/a | n/a | n/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 demethylase 5A
(Homo sapiens (Human)) | BDBM50151585
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.74E+3 | n/a | n/a | n/a | n/a | n/a | n/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 2
(Homo sapiens (Human)) | BDBM50151583
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.51E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serpin H1
(Mus musculus) | BDBM50320850
(CHEMBL1163312)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C109H163N31O34/c1-56(2)90(125-100(166)67-16-6-26-127(67)82(149)42-117-94(160)76-35-59(143)51-136(76)105(171)71-20-10-30-131(71)87(154)46-121-97(163)78-37-61(145)53-138(78)106(172)70-19-9-29-130(70)85(152)43-118-93(159)74-33-57(141)49-134(74)102(168)65-14-4-23-113-65)101(167)123-48-83(150)126-25-5-15-66(126)99(165)124-64(13-3-24-114-109(111)112)91(157)116-41-84(151)128-27-7-17-68(128)104(170)137-52-60(144)36-77(137)95(161)120-45-88(155)132-31-11-21-72(132)108(174)140-55-63(147)39-80(140)98(164)122-47-89(156)133-32-12-22-73(133)107(173)139-54-62(146)38-79(139)96(162)119-44-86(153)129-28-8-18-69(129)103(169)135-50-58(142)34-75(135)92(158)115-40-81(110)148/h56-80,90,113,141-147H,3-55H2,1-2H3,(H2,110,148)(H,115,158)(H,116,157)(H,117,160)(H,118,159)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,167)(H,124,165)(H,125,166)(H4,111,112,114)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,90+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320851
(CHEMBL1163314)Show SMILES CC(C)(O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C109H163N31O35/c1-109(2,175)89(125-99(166)66-16-6-26-127(66)81(149)42-117-93(160)75-35-58(143)51-136(75)104(171)70-20-10-30-131(70)86(154)46-121-96(163)77-37-60(145)53-138(77)105(172)69-19-9-29-130(69)84(152)43-118-92(159)73-33-56(141)49-134(73)101(168)64-14-4-23-113-64)100(167)123-48-82(150)126-25-5-15-65(126)98(165)124-63(13-3-24-114-108(111)112)90(157)116-41-83(151)128-27-7-17-67(128)103(170)137-52-59(144)36-76(137)94(161)120-45-87(155)132-31-11-21-71(132)107(174)140-55-62(147)39-79(140)97(164)122-47-88(156)133-32-12-22-72(133)106(173)139-54-61(146)38-78(139)95(162)119-44-85(153)129-28-8-18-68(129)102(169)135-50-57(142)34-74(135)91(158)115-40-80(110)148/h56-79,89,113,141-147,175H,3-55H2,1-2H3,(H2,110,148)(H,115,158)(H,116,157)(H,117,160)(H,118,159)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,167)(H,124,165)(H,125,166)(H4,111,112,114)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,89-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320852
(CHEMBL1163315)Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C107H159N31O34/c1-55(122-98(164)65-14-4-24-124(65)82(148)42-116-93(159)75-34-58(141)50-134(75)103(169)70-19-9-29-129(70)86(152)46-120-96(162)77-36-60(143)52-136(77)104(170)69-18-8-28-128(69)84(150)43-117-92(158)73-32-56(139)48-132(73)100(166)64-13-3-22-111-64)89(155)114-40-81(147)125-25-5-15-66(125)99(165)123-63(12-2-23-112-107(109)110)90(156)115-41-83(149)126-26-6-16-67(126)102(168)135-51-59(142)35-76(135)94(160)119-45-87(153)130-30-10-20-71(130)106(172)138-54-62(145)38-79(138)97(163)121-47-88(154)131-31-11-21-72(131)105(171)137-53-61(144)37-78(137)95(161)118-44-85(151)127-27-7-17-68(127)101(167)133-49-57(140)33-74(133)91(157)113-39-80(108)146/h55-79,111,139-145H,2-54H2,1H3,(H2,108,146)(H,113,157)(H,114,155)(H,115,156)(H,116,159)(H,117,158)(H,118,161)(H,119,160)(H,120,162)(H,121,163)(H,122,164)(H,123,165)(H4,109,110,112)/t55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320853
(CHEMBL2372618)Show SMILES CN(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C110H163N31O35/c1-125(102(169)82-39-64(149)55-141(82)109(176)74-21-11-31-133(74)90(157)47-123-99(166)81-38-63(148)54-140(81)108(175)73-20-10-30-132(73)89(156)45-121-97(164)78-35-60(145)51-137(78)105(172)70-17-7-27-129(70)85(152)42-118-94(161)75-32-57(142)48-134(75)101(168)66-13-3-22-114-66)56-91(158)126-24-4-14-67(126)100(167)124-65(12-2-23-115-110(112)113)92(159)117-41-84(151)127-25-5-15-68(127)104(171)136-50-59(144)34-77(136)95(162)120-44-87(154)130-28-8-18-71(130)107(174)139-53-62(147)37-80(139)98(165)122-46-88(155)131-29-9-19-72(131)106(173)138-52-61(146)36-79(138)96(163)119-43-86(153)128-26-6-16-69(128)103(170)135-49-58(143)33-76(135)93(160)116-40-83(111)150/h57-82,114,142-149H,2-56H2,1H3,(H2,111,150)(H,116,160)(H,117,159)(H,118,161)(H,119,163)(H,120,162)(H,121,164)(H,122,165)(H,123,166)(H,124,167)(H4,112,113,115)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73?,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320870
(CHEMBL1163328)Show SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C109H163N31O34/c1-2-13-64(124-100(166)67-16-5-27-127(67)84(150)44-118-95(161)77-36-59(143)52-136(77)105(171)72-21-10-31-131(72)88(154)48-122-98(164)79-38-61(145)54-138(79)106(172)71-20-9-30-130(71)86(152)45-119-94(160)75-34-57(141)50-134(75)102(168)66-15-4-24-113-66)91(157)116-42-83(149)126-26-6-17-68(126)101(167)125-65(14-3-25-114-109(111)112)92(158)117-43-85(151)128-28-7-18-69(128)104(170)137-53-60(144)37-78(137)96(162)121-47-89(155)132-32-11-22-73(132)108(174)140-56-63(147)40-81(140)99(165)123-49-90(156)133-33-12-23-74(133)107(173)139-55-62(146)39-80(139)97(163)120-46-87(153)129-29-8-19-70(129)103(169)135-51-58(142)35-76(135)93(159)115-41-82(110)148/h57-81,113,141-147H,2-56H2,1H3,(H2,110,148)(H,115,159)(H,116,157)(H,117,158)(H,118,161)(H,119,160)(H,120,163)(H,121,162)(H,122,164)(H,123,165)(H,124,166)(H,125,167)(H4,111,112,114)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320854
(CHEMBL1163308)Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C108H161N31O35/c1-55(140)89(124-99(166)66-15-5-25-126(66)81(149)41-116-93(160)75-34-58(143)50-135(75)104(171)70-19-9-29-130(70)86(154)45-120-96(163)77-36-60(145)52-137(77)105(172)69-18-8-28-129(69)84(152)42-117-92(159)73-32-56(141)48-133(73)101(168)64-13-3-22-112-64)100(167)122-47-82(150)125-24-4-14-65(125)98(165)123-63(12-2-23-113-108(110)111)90(157)115-40-83(151)127-26-6-16-67(127)103(170)136-51-59(144)35-76(136)94(161)119-44-87(155)131-30-10-20-71(131)107(174)139-54-62(147)38-79(139)97(164)121-46-88(156)132-31-11-21-72(132)106(173)138-53-61(146)37-78(138)95(162)118-43-85(153)128-27-7-17-68(128)102(169)134-49-57(142)33-74(134)91(158)114-39-80(109)148/h55-79,89,112,140-147H,2-54H2,1H3,(H2,109,148)(H,114,158)(H,115,157)(H,116,160)(H,117,159)(H,118,162)(H,119,161)(H,120,163)(H,121,164)(H,122,167)(H,123,165)(H,124,166)(H4,110,111,113)/t55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,89-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Lysine-specific demethylase 5A
(Homo sapiens (Human)) | BDBM50151584
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/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 2
(Homo sapiens (Human)) | BDBM50151585
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.32E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serpin H1
(Mus musculus) | BDBM50320873
(CHEMBL1163292)Show SMILES N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C101H151N29O32S/c102-59(51-163)93(155)123-28-10-19-68(123)100(162)130-50-58(137)35-75(130)91(153)114-43-83(145)122-27-9-18-67(122)99(161)129-49-57(136)34-74(129)90(152)112-41-80(142)119-24-6-15-64(119)96(158)125-45-53(132)30-70(125)86(148)109-38-77(139)116-21-3-12-61(116)92(154)115-60(11-1-2-20-106-101(104)105)84(146)108-37-78(140)117-22-4-13-62(117)95(157)126-46-54(133)31-71(126)87(149)111-40-81(143)120-25-7-16-65(120)98(160)128-48-56(135)33-73(128)89(151)113-42-82(144)121-26-8-17-66(121)97(159)127-47-55(134)32-72(127)88(150)110-39-79(141)118-23-5-14-63(118)94(156)124-44-52(131)29-69(124)85(147)107-36-76(103)138/h52-75,131-137,163H,1-51,102H2,(H2,103,138)(H,107,147)(H,108,146)(H,109,148)(H,110,150)(H,111,149)(H,112,152)(H,113,151)(H,114,153)(H,115,154)(H4,104,105,106)/t52-,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50151590
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Serpin H1
(Mus musculus) | BDBM50320855
(CHEMBL1163316)Show SMILES CN(CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C107H159N31O34/c1-123(100(166)66-15-5-25-125(66)84(150)42-117-93(159)75-34-58(141)51-135(75)104(170)70-19-9-29-129(70)88(154)46-120-96(162)77-36-60(143)52-136(77)103(169)69-18-8-28-128(69)85(151)43-116-92(158)73-32-56(139)48-132(73)99(165)64-13-3-22-111-64)55-81(147)113-40-82(148)124-24-4-14-65(124)98(164)122-63(12-2-23-112-107(109)110)90(156)115-41-83(149)126-26-6-16-67(126)102(168)134-50-59(142)35-76(134)94(160)119-45-87(153)130-30-10-20-71(130)106(172)138-54-62(145)38-79(138)97(163)121-47-89(155)131-31-11-21-72(131)105(171)137-53-61(144)37-78(137)95(161)118-44-86(152)127-27-7-17-68(127)101(167)133-49-57(140)33-74(133)91(157)114-39-80(108)146/h56-79,111,139-145H,2-55H2,1H3,(H2,108,146)(H,113,147)(H,114,157)(H,115,156)(H,116,158)(H,117,159)(H,118,161)(H,119,160)(H,120,162)(H,121,163)(H,122,164)(H4,109,110,112)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320856
(CHEMBL1165422)Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O |r| Show InChI InChI=1S/C111H167N31O34/c1-4-58(2)92(127(3)104(170)69-18-8-28-129(69)86(153)44-120-96(162)78-37-61(145)54-139(78)108(174)73-22-12-32-133(73)90(157)48-123-99(165)80-39-63(147)55-140(80)107(173)72-21-11-31-132(72)87(154)45-119-95(161)76-35-59(143)51-136(76)103(169)67-16-6-25-115-67)102(168)125-50-84(151)128-27-7-17-68(128)101(167)126-66(15-5-26-116-111(113)114)93(159)118-43-85(152)130-29-9-19-70(130)106(172)138-53-62(146)38-79(138)97(163)122-47-89(156)134-33-13-23-74(134)110(176)142-57-65(149)41-82(142)100(166)124-49-91(158)135-34-14-24-75(135)109(175)141-56-64(148)40-81(141)98(164)121-46-88(155)131-30-10-20-71(131)105(171)137-52-60(144)36-77(137)94(160)117-42-83(112)150/h58-82,92,115,143-149H,4-57H2,1-3H3,(H2,112,150)(H,117,160)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,168)(H,126,167)(H4,113,114,116)/t58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,92-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320857
(CHEMBL1163702)Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1 |r| Show InChI InChI=1S/C108H161N31O35/c109-81(148)40-114-92(159)75-34-57(142)50-134(75)102(169)69-16-6-27-128(69)86(153)45-119-96(163)79-38-61(146)54-138(79)106(173)73-20-10-31-132(73)89(156)48-122-98(165)80-39-62(147)55-139(80)107(174)72-19-9-30-131(72)88(155)46-120-95(162)77-36-59(144)52-136(77)103(170)68-15-5-26-127(68)84(151)42-115-90(157)63(11-1-23-113-108(110)111)123-99(166)66-13-3-24-125(66)82(149)41-116-91(158)64(21-32-140)124-100(167)67-14-4-25-126(67)83(150)43-117-94(161)76-35-58(143)51-135(76)104(171)71-18-8-29-130(71)87(154)47-121-97(164)78-37-60(145)53-137(78)105(172)70-17-7-28-129(70)85(152)44-118-93(160)74-33-56(141)49-133(74)101(168)65-12-2-22-112-65/h56-80,112,140-147H,1-55H2,(H2,109,148)(H,114,159)(H,115,157)(H,116,158)(H,117,161)(H,118,160)(H,119,163)(H,120,162)(H,121,164)(H,122,165)(H,123,166)(H,124,167)(H4,110,111,113)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Waseda University
Curated by ChEMBL
| Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 2
(Homo sapiens (Human)) | BDBM50151584
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.32E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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] B
(Homo sapiens (Human)) | BDBM50151587
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50151584
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50151585
(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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50151586
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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] B
(Homo sapiens (Human)) | BDBM50151584
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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] B
(Homo sapiens (Human)) | BDBM50151586
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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