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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'tsuchida' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50539387
PNG
(CHEMBL4648474)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1S/C124H211N41O31/c1-15-63(9)94(116(192)151-77(32-22-24-48-126)107(183)162-95(64(10)16-2)117(193)153-82(42-45-91(129)171)109(185)164-97(66(12)18-4)119(195)158-85(54-62(7)8)111(187)159-88(59-166)114(190)148-76(31-21-23-47-125)104(180)155-84(53-61(5)6)110(186)146-75(99(131)175)33-25-49-140-121(132)133)161-100(176)67(13)145-102(178)83(43-46-93(173)174)154-118(194)96(65(11)17-3)163-108(184)80(36-28-52-143-124(138)139)149-115(191)89(60-167)160-112(188)86(55-69-37-39-71(169)40-38-69)156-105(181)79(35-27-51-142-123(136)137)152-120(196)98(68(14)168)165-113(189)87(57-92(130)172)157-106(182)81(41-44-90(128)170)150-103(179)78(34-26-50-141-122(134)135)147-101(177)73(127)56-70-58-144-74-30-20-19-29-72(70)74/h19-20,29-30,37-40,58,61-68,73,75-89,94-98,144,166-169H,15-18,21-28,31-36,41-57,59-60,125-127H2,1-14H3,(H2,128,170)(H2,129,171)(H2,130,172)(H2,131,175)(H,145,178)(H,146,186)(H,147,177)(H,148,190)(H,149,191)(H,150,179)(H,151,192)(H,152,196)(H,153,193)(H,154,194)(H,155,180)(H,156,181)(H,157,182)(H,158,195)(H,159,187)(H,160,188)(H,161,176)(H,162,183)(H,163,184)(H,164,185)(H,165,189)(H,173,174)(H4,132,133,140)(H4,134,135,141)(H4,136,137,142)(H4,138,139,143)/t63-,64-,65-,66-,67-,68+,73-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,94-,95-,96-,97-,98-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126892
BindingDB Entry DOI: 10.7270/Q2G73J8Q
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50585028
PNG
(CHEMBL5078185)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of myostatin (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual l...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00705
BindingDB Entry DOI: 10.7270/Q28S4TT7
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50525413
PNG
(CHEMBL4448117)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of myostatin (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual l...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00705
BindingDB Entry DOI: 10.7270/Q28S4TT7
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50585029
PNG
(CHEMBL5092917)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](N)CCCNC(N)=N)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of myostatin (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual l...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00705
BindingDB Entry DOI: 10.7270/Q28S4TT7
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))
BDBM50585028
PNG
(CHEMBL5078185)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](N)CC(C)C)C1CCCCC1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](C1CCCCC1)C(=O)N[C@H](CCCCN)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF beta 1 (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00705
BindingDB Entry DOI: 10.7270/Q28S4TT7
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50525413
PNG
(CHEMBL4448117)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.56E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126892
BindingDB Entry DOI: 10.7270/Q2G73J8Q
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180049
PNG
(3-[2-isobutoxy-5-(4-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C24H30O5/c1-16(2)14-28-21-9-5-18(6-10-21)24(27)20-7-11-22(29-15-17(3)4)19(13-20)8-12-23(25)26/h5-7,9-11,13,16-17H,8,12,14-15H2,1-4H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180047
PNG
(3-[2-isobutoxy-5-(3-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1cccc(c1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C24H30O5/c1-16(2)14-28-21-7-5-6-19(13-21)24(27)20-8-10-22(29-15-17(3)4)18(12-20)9-11-23(25)26/h5-8,10,12-13,16-17H,9,11,14-15H2,1-4H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens (Human))
BDBM50539386
PNG
(CHEMBL4646947)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C79H116N20O20S/c1-9-42(6)65(78(118)97-53(32-45-22-14-11-15-23-45)72(112)92-55(34-59(81)101)67(107)87-39-62(84)104)98-69(109)50(27-29-120-8)89-73(113)54(33-46-38-86-48-25-17-16-24-47(46)48)91-68(108)49(26-18-19-28-80)88-71(111)52(31-44-20-12-10-13-21-44)90-70(110)51(30-40(2)3)96-79(119)66(43(7)100)99-76(116)57(36-61(83)103)93-75(115)58(37-63(105)106)94-74(114)56(35-60(82)102)95-77(117)64(85)41(4)5/h10-17,20-25,38,40-43,49-58,64-66,86,100H,9,18-19,26-37,39,80,85H2,1-8H3,(H2,81,101)(H2,82,102)(H2,83,103)(H2,84,104)(H,87,107)(H,88,111)(H,89,113)(H,90,110)(H,91,108)(H,92,112)(H,93,115)(H,94,114)(H,95,117)(H,96,119)(H,97,118)(H,98,109)(H,99,116)(H,105,106)/t42-,43+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-,65-,66-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of myostatin (unknown origin) expressed in HEK293 cells incubated for 4 hrs by dual luciferase reporter gene assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126892
BindingDB Entry DOI: 10.7270/Q2G73J8Q
More data for this
Ligand-Target Pair
Transforming growth factor beta-1 proprotein


(Homo sapiens (Human))
BDBM50525413
PNG
(CHEMBL4448117)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)CC)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C114H173N29O19/c1-9-64(6)92(140-105(155)87(55-67-44-46-73(145)47-45-67)135-98(148)77(117)56-70-59-126-78-37-21-18-34-74(70)78)109(159)131-84(43-29-53-125-114(122)123)100(150)136-89(58-72-61-128-80-39-23-20-36-76(72)80)106(156)141-93(65(7)10-2)108(158)130-82(41-25-27-51-116)102(152)143-96(69-32-16-13-17-33-69)112(162)133-85(48-49-91(118)146)103(153)139-94(66(8)11-3)110(160)137-88(57-71-60-127-79-38-22-19-35-75(71)79)104(154)138-90(62-144)107(157)129-81(40-24-26-50-115)101(151)142-95(68-30-14-12-15-31-68)111(161)132-83(42-28-52-124-113(120)121)99(149)134-86(97(119)147)54-63(4)5/h18-23,34-39,44-47,59-61,63-66,68-69,77,81-90,92-96,126-128,144-145H,9-17,24-33,40-43,48-58,62,115-117H2,1-8H3,(H2,118,146)(H2,119,147)(H,129,157)(H,130,158)(H,131,159)(H,132,161)(H,133,162)(H,134,149)(H,135,148)(H,136,150)(H,137,160)(H,138,154)(H,139,153)(H,140,155)(H,141,156)(H,142,151)(H,143,152)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,77-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,92-,93-,94-,95-,96-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TGF beta 1 (unknown origin) expressed in HEK293 cells transfected with Smad2/3 responsive reporter plasmid incubated for 4 hrs by dual ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00705
BindingDB Entry DOI: 10.7270/Q28S4TT7
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151079
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C32H53N9O14/c1-14(2)8-18(30(53)36-16(5)27(50)38-20(10-24(44)45)28(51)35-13-26(48)49)40-32(55)21(11-25(46)47)41-31(54)19(9-15(3)4)39-29(52)17(6-7-22(34)42)37-23(43)12-33/h14-21H,6-13,33H2,1-5H3,(H2,34,42)(H,35,51)(H,36,53)(H,37,43)(H,38,50)(H,39,52)(H,40,55)(H,41,54)(H,44,45)(H,46,47)(H,48,49)/t16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180051
PNG
((R)-4-(4-methylpentanoyl)-8-(4-methylpentylidene)-...)
Show SMILES CC(C)CCC=C1CCC2(CC1)SC[C@H](N2C(=O)CCC(C)C)C(O)=O |wU:14.24,(-7.53,4.55,;-6,4.62,;-5.29,5.99,;-5.17,3.32,;-3.63,3.39,;-2.8,2.1,;-1.26,2.17,;-.42,.88,;1.12,.95,;1.82,2.31,;1,3.6,;-.54,3.53,;2.67,3.6,;4.15,3.19,;4.22,1.65,;2.78,1.11,;2.37,-.38,;.88,-.77,;3.45,-1.47,;3.05,-2.96,;4.13,-4.05,;3.72,-5.54,;5.62,-3.66,;5.51,.8,;6.88,1.49,;5.42,-.73,)|
Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-17-10-12-21(13-11-17)22(18(14-26-21)20(24)25)19(23)9-8-16(3)4/h7,15-16,18H,5-6,8-14H2,1-4H3,(H,24,25)/b17-7-/t18-,21?/m0/s1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180048
PNG
((R)-8-(3-methylbutylidene)-4-(5-methylhexanoyl)-1-...)
Show SMILES CC(C)CCCC(=O)N1[C@@H](CSC11CCC(CC1)=CCC(C)C)C(O)=O |wU:9.24,(8.93,-9.16,;7.84,-8.07,;8.25,-6.58,;6.35,-8.46,;5.27,-7.36,;5.68,-5.88,;4.6,-4.78,;3.11,-5.17,;5,-3.29,;6.45,-2.75,;6.37,-1.21,;4.89,-.81,;4.04,-2.09,;3.34,-3.46,;1.8,-3.53,;.97,-2.23,;1.68,-.87,;3.22,-.8,;-.57,-2.31,;-1.4,-1.01,;-2.94,-1.08,;-3.77,.22,;-3.65,-2.45,;7.73,-3.6,;9.11,-2.91,;7.64,-5.14,)|
Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-19(23)22-18(20(24)25)14-26-21(22)12-10-17(11-13-21)9-8-16(3)4/h9,15-16,18H,5-8,10-14H2,1-4H3,(H,24,25)/b17-9-/t18-,21?/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the expression of AP1-luciferase by TPA-stimulated NIH3T3 cells


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151090
PNG
((S)-3-{(S)-2-[(S)-2-(2-Amino-acetylamino)-4-carbam...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C32H54N10O13/c1-14(2)8-18(30(53)37-16(5)27(50)39-20(10-23(35)44)28(51)36-13-26(48)49)41-32(55)21(11-25(46)47)42-31(54)19(9-15(3)4)40-29(52)17(6-7-22(34)43)38-24(45)12-33/h14-21H,6-13,33H2,1-5H3,(H2,34,43)(H2,35,44)(H,36,51)(H,37,53)(H,38,45)(H,39,50)(H,40,52)(H,41,55)(H,42,54)(H,46,47)(H,48,49)/t16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151095
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C31H51N9O14/c1-13(2)6-16(28(51)35-15(5)26(49)37-19(9-23(43)44)27(50)34-12-25(47)48)38-31(54)20(10-24(45)46)40-29(52)17(7-14(3)4)39-30(53)18(8-21(33)41)36-22(42)11-32/h13-20H,6-12,32H2,1-5H3,(H2,33,41)(H,34,50)(H,35,51)(H,36,42)(H,37,49)(H,38,54)(H,39,53)(H,40,52)(H,43,44)(H,45,46)(H,47,48)/t15-,16-,17-,18-,19-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151089
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C35H57N9O14/c1-17(2)11-21(33(56)39-18(3)30(53)41-23(13-27(47)48)31(54)38-16-29(51)52)42-35(58)24(14-28(49)50)44-34(57)22(12-19-7-5-4-6-8-19)43-32(55)20(9-10-25(37)45)40-26(46)15-36/h17-24H,4-16,36H2,1-3H3,(H2,37,45)(H,38,54)(H,39,56)(H,40,46)(H,41,53)(H,42,58)(H,43,55)(H,44,57)(H,47,48)(H,49,50)(H,51,52)/t18-,20-,21-,22-,23-,24-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151091
PNG
((S)-3-{(S)-2-[(S)-2-(2-Amino-acetylamino)-4-carbam...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(O)=O
Show InChI InChI=1S/C31H53N9O12/c1-14(2)9-19(29(50)36-17(6)27(48)35-16(5)26(47)34-13-25(45)46)39-31(52)21(11-24(43)44)40-30(51)20(10-15(3)4)38-28(49)18(7-8-22(33)41)37-23(42)12-32/h14-21H,7-13,32H2,1-6H3,(H2,33,41)(H,34,47)(H,35,48)(H,36,50)(H,37,42)(H,38,49)(H,39,52)(H,40,51)(H,43,44)(H,45,46)/t16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151088
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C35H57N9O14/c1-17(2)11-21(42-32(55)20(9-10-25(37)45)40-26(46)15-36)34(57)44-24(14-28(49)50)35(58)43-22(12-19-7-5-4-6-8-19)33(56)39-18(3)30(53)41-23(13-27(47)48)31(54)38-16-29(51)52/h17-24H,4-16,36H2,1-3H3,(H2,37,45)(H,38,54)(H,39,56)(H,40,46)(H,41,53)(H,42,55)(H,43,58)(H,44,57)(H,47,48)(H,49,50)(H,51,52)/t18-,20-,21-,22-,23-,24-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151087
PNG
((S)-2-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C30H50N8O13/c1-13(2)8-17(27(47)33-15(5)25(45)38-20(30(50)51)11-24(43)44)36-29(49)19(10-23(41)42)37-28(48)18(9-14(3)4)35-26(46)16(6-7-21(32)39)34-22(40)12-31/h13-20H,6-12,31H2,1-5H3,(H2,32,39)(H,33,47)(H,34,40)(H,35,46)(H,36,49)(H,37,48)(H,38,45)(H,41,42)(H,43,44)(H,50,51)/t15-,16-,17-,18-,19-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151086
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C29H47N9O14/c1-12(2)7-16(37-27(50)15(5-6-19(31)39)35-20(40)10-30)29(52)38-18(9-22(43)44)28(51)34-13(3)24(47)33-14(4)25(48)36-17(8-21(41)42)26(49)32-11-23(45)46/h12-18H,5-11,30H2,1-4H3,(H2,31,39)(H,32,49)(H,33,47)(H,34,51)(H,35,40)(H,36,48)(H,37,50)(H,38,52)(H,41,42)(H,43,44)(H,45,46)/t13-,14-,15-,16-,17-,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151085
PNG
((S)-3-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-4-c...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C30H50N8O13/c1-13(2)8-17(28(49)34-15(5)25(46)35-19(10-22(40)41)27(48)33-12-24(44)45)37-30(51)20(11-23(42)43)38-29(50)18(9-14(3)4)36-26(47)16(31)6-7-21(32)39/h13-20H,6-12,31H2,1-5H3,(H2,32,39)(H,33,48)(H,34,49)(H,35,46)(H,36,47)(H,37,51)(H,38,50)(H,40,41)(H,42,43)(H,44,45)/t15-,16-,17-,18-,19-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151084
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C33H55N9O14/c1-14(2)9-19(29(51)36-16(5)27(49)39-21(11-25(45)46)30(52)37-17(6)33(55)56)41-32(54)22(12-26(47)48)42-31(53)20(10-15(3)4)40-28(50)18(7-8-23(35)43)38-24(44)13-34/h14-22H,7-13,34H2,1-6H3,(H2,35,43)(H,36,51)(H,37,52)(H,38,44)(H,39,49)(H,40,50)(H,41,54)(H,42,53)(H,45,46)(H,47,48)(H,55,56)/t16-,17-,18-,19-,20-,21-,22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151083
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C29H47N9O14/c1-12(2)7-16(28(51)34-14(4)24(47)36-17(8-21(41)42)26(49)32-11-23(45)46)38-29(52)18(9-22(43)44)37-25(48)13(3)33-27(50)15(5-6-19(31)39)35-20(40)10-30/h12-18H,5-11,30H2,1-4H3,(H2,31,39)(H,32,49)(H,33,50)(H,34,51)(H,35,40)(H,36,47)(H,37,48)(H,38,52)(H,41,42)(H,43,44)(H,45,46)/t13-,14-,15-,16-,17-,18-/m0/s1
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Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151081
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C30H50N8O13/c1-13(2)7-17(28(49)34-16(6)26(47)36-19(9-22(40)41)27(48)32-12-24(44)45)37-30(51)20(10-23(42)43)38-29(50)18(8-14(3)4)35-25(46)15(5)33-21(39)11-31/h13-20H,7-12,31H2,1-6H3,(H,32,48)(H,33,39)(H,34,49)(H,35,46)(H,36,47)(H,37,51)(H,38,50)(H,40,41)(H,42,43)(H,44,45)/t15-,16-,17-,18-,19-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151080
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-((S)-2-Am...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C33H55N9O14/c1-14(2)9-19(31(54)37-17(6)28(51)39-21(11-24(44)45)29(52)36-13-26(48)49)41-33(56)22(12-25(46)47)42-32(55)20(10-15(3)4)40-30(53)18(7-8-23(35)43)38-27(50)16(5)34/h14-22H,7-13,34H2,1-6H3,(H2,35,43)(H,36,52)(H,37,54)(H,38,50)(H,39,51)(H,40,53)(H,41,56)(H,42,55)(H,44,45)(H,46,47)(H,48,49)/t16-,17-,18-,19-,20-,21-,22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151082
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-6-Amino-2-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C33H57N9O13/c1-16(2)10-20(31(53)37-18(5)28(50)39-22(12-25(44)45)29(51)36-15-27(48)49)41-33(55)23(13-26(46)47)42-32(54)21(11-17(3)4)40-30(52)19(8-6-7-9-34)38-24(43)14-35/h16-23H,6-15,34-35H2,1-5H3,(H,36,51)(H,37,53)(H,38,43)(H,39,50)(H,40,52)(H,41,55)(H,42,54)(H,44,45)(H,46,47)(H,48,49)/t18-,19-,20-,21-,22-,23-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151094
PNG
((S)-3-{2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-acet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C31H51N9O14/c1-14(2)7-17(27(50)34-12-23(43)37-19(9-24(44)45)28(51)35-13-26(48)49)38-31(54)20(10-25(46)47)40-30(53)18(8-15(3)4)39-29(52)16(5-6-21(33)41)36-22(42)11-32/h14-20H,5-13,32H2,1-4H3,(H2,33,41)(H,34,50)(H,35,51)(H,36,42)(H,37,43)(H,38,54)(H,39,52)(H,40,53)(H,44,45)(H,46,47)(H,48,49)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151093
PNG
((S)-4-(2-Amino-acetylamino)-4-{(S)-1-[(S)-2-carbox...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C32H52N8O15/c1-14(2)8-18(30(53)35-16(5)27(50)37-20(10-24(44)45)28(51)34-13-26(48)49)39-32(55)21(11-25(46)47)40-31(54)19(9-15(3)4)38-29(52)17(6-7-23(42)43)36-22(41)12-33/h14-21H,6-13,33H2,1-5H3,(H,34,51)(H,35,53)(H,36,41)(H,37,50)(H,38,52)(H,39,55)(H,40,54)(H,42,43)(H,44,45)(H,46,47)(H,48,49)/t16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50151092
PNG
((S)-3-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Amino-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C31H53N9O12/c1-14(2)9-19(30(51)35-17(6)27(48)39-21(11-24(43)44)28(49)34-13-25(45)46)38-26(47)16(5)36-31(52)20(10-15(3)4)40-29(50)18(7-8-22(33)41)37-23(42)12-32/h14-21H,7-13,32H2,1-6H3,(H2,33,41)(H,34,49)(H,35,51)(H,36,52)(H,37,42)(H,38,47)(H,39,48)(H,40,50)(H,43,44)(H,45,46)/t16-,17-,18-,19-,20-,21-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against transcription activator protein-1 (AP-1)


J Med Chem 47: 4239-46 (2004)


Article DOI: 10.1021/jm049890+
BindingDB Entry DOI: 10.7270/Q2RX9BJG
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180050
PNG
(3-[2-benzyloxy-5-(4-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)c1ccc(OCc2ccccc2)c(CCC(O)=O)c1
Show InChI InChI=1S/C27H28O5/c1-19(2)17-31-24-12-8-21(9-13-24)27(30)23-10-14-25(22(16-23)11-15-26(28)29)32-18-20-6-4-3-5-7-20/h3-10,12-14,16,19H,11,15,17-18H2,1-2H3,(H,28,29)
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n/an/a 4.20E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180048
PNG
((R)-8-(3-methylbutylidene)-4-(5-methylhexanoyl)-1-...)
Show SMILES CC(C)CCCC(=O)N1[C@@H](CSC11CCC(CC1)=CCC(C)C)C(O)=O |wU:9.24,(8.93,-9.16,;7.84,-8.07,;8.25,-6.58,;6.35,-8.46,;5.27,-7.36,;5.68,-5.88,;4.6,-4.78,;3.11,-5.17,;5,-3.29,;6.45,-2.75,;6.37,-1.21,;4.89,-.81,;4.04,-2.09,;3.34,-3.46,;1.8,-3.53,;.97,-2.23,;1.68,-.87,;3.22,-.8,;-.57,-2.31,;-1.4,-1.01,;-2.94,-1.08,;-3.77,.22,;-3.65,-2.45,;7.73,-3.6,;9.11,-2.91,;7.64,-5.14,)|
Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-19(23)22-18(20(24)25)14-26-21(22)12-10-17(11-13-21)9-8-16(3)4/h9,15-16,18H,5-8,10-14H2,1-4H3,(H,24,25)/b17-9-/t18-,21?/m0/s1
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n/an/a 4.60E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180047
PNG
(3-[2-isobutoxy-5-(3-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1cccc(c1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C24H30O5/c1-16(2)14-28-21-7-5-6-19(13-21)24(27)20-8-10-22(29-15-17(3)4)18(12-20)9-11-23(25)26/h5-8,10,12-13,16-17H,9,11,14-15H2,1-4H3,(H,25,26)
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n/an/a 6.00E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180049
PNG
(3-[2-isobutoxy-5-(4-isobutoxybenzoyl)phenyl]propio...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C24H30O5/c1-16(2)14-28-21-9-5-18(6-10-21)24(27)20-7-11-22(29-15-17(3)4)19(13-20)8-12-23(25)26/h5-7,9-11,13,16-17H,8,12,14-15H2,1-4H3,(H,25,26)
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n/an/a 6.10E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180051
PNG
((R)-4-(4-methylpentanoyl)-8-(4-methylpentylidene)-...)
Show SMILES CC(C)CCC=C1CCC2(CC1)SC[C@H](N2C(=O)CCC(C)C)C(O)=O |wU:14.24,(-7.53,4.55,;-6,4.62,;-5.29,5.99,;-5.17,3.32,;-3.63,3.39,;-2.8,2.1,;-1.26,2.17,;-.42,.88,;1.12,.95,;1.82,2.31,;1,3.6,;-.54,3.53,;2.67,3.6,;4.15,3.19,;4.22,1.65,;2.78,1.11,;2.37,-.38,;.88,-.77,;3.45,-1.47,;3.05,-2.96,;4.13,-4.05,;3.72,-5.54,;5.62,-3.66,;5.51,.8,;6.88,1.49,;5.42,-.73,)|
Show InChI InChI=1S/C21H35NO3S/c1-15(2)6-5-7-17-10-12-21(13-11-17)22(18(14-26-21)20(24)25)19(23)9-8-16(3)4/h7,15-16,18H,5-6,8-14H2,1-4H3,(H,24,25)/b17-7-/t18-,21?/m0/s1
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n/an/a 6.50E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180052
PNG
(3-[5-(4-isobutoxybenzoyl)-2-propoxyphenyl]propioni...)
Show SMILES CCCOc1ccc(cc1CCC(O)=O)C(=O)c1ccc(OCC(C)C)cc1
Show InChI InChI=1S/C23H28O5/c1-4-13-27-21-11-7-19(14-18(21)8-12-22(24)25)23(26)17-5-9-20(10-6-17)28-15-16(2)3/h5-7,9-11,14,16H,4,8,12-13,15H2,1-3H3,(H,24,25)
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n/an/a 9.10E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180046
PNG
(3-[2-isobutoxy-5-(4-propoxybenzoyl)phenyl]propioni...)
Show SMILES CCCOc1ccc(cc1)C(=O)c1ccc(OCC(C)C)c(CCC(O)=O)c1
Show InChI InChI=1S/C23H28O5/c1-4-13-27-20-9-5-17(6-10-20)23(26)19-7-11-21(28-15-16(2)3)18(14-19)8-12-22(24)25/h5-7,9-11,14,16H,4,8,12-13,15H2,1-3H3,(H,24,25)
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n/an/a 9.30E+5n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180053
PNG
(3-(5-benzoyl-2-isobutoxyphenyl)propionic acid | CH...)
Show SMILES CC(C)COc1ccc(cc1CCC(O)=O)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22O4/c1-14(2)13-24-18-10-8-17(12-16(18)9-11-19(21)22)20(23)15-6-4-3-5-7-15/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,21,22)
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n/an/a>2.00E+6n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair
Protein c-Fos/Transcription factor Jun


(Homo sapiens (Human))
BDBM50180045
PNG
(3-[3-(4-isobutoxybenzoyl)phenyl]propionic acid | C...)
Show SMILES CC(C)COc1ccc(cc1)C(=O)c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C20H22O4/c1-14(2)13-24-18-9-7-16(8-10-18)20(23)17-5-3-4-15(12-17)6-11-19(21)22/h3-5,7-10,12,14H,6,11,13H2,1-2H3,(H,21,22)
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n/an/a>2.00E+6n/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on AP1 using ELISA based AP1 DNA binding


J Med Chem 49: 80-91 (2006)


Article DOI: 10.1021/jm050550d
BindingDB Entry DOI: 10.7270/Q2VX0G2C
More data for this
Ligand-Target Pair