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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor receptor superfamily member 5' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Tumor necrosis factor receptor superfamily member 5


(Homo sapiens)
BDBM50325995
PNG
((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S,7S,7'S,7''S)-...)
Show SMILES NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCC(=O)NCCCC[C@@H]1CNC(=O)C[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)C1
Show InChI InChI=1S/C117H176N24O23/c118-55-13-7-25-92(121)109(156)132-74-106(153)136-98(67-80-37-49-89(145)50-38-80)115(162)139-95(64-77-31-43-86(142)44-32-77)112(159)127-61-16-1-4-28-101(148)124-58-19-10-22-83-70-105(152)135-85(24-12-21-60-126-103(150)30-6-3-18-63-129-114(161)97(66-79-35-47-88(144)48-36-79)141-117(164)100(69-82-41-53-91(147)54-42-82)138-108(155)76-134-111(158)94(123)27-9-15-57-120)73-130-84(71-104(151)131-72-83)23-11-20-59-125-102(149)29-5-2-17-62-128-113(160)96(65-78-33-45-87(143)46-34-78)140-116(163)99(68-81-39-51-90(146)52-40-81)137-107(154)75-133-110(157)93(122)26-8-14-56-119/h31-54,83-85,92-100,130,142-147H,1-30,55-76,118-123H2,(H,124,148)(H,125,149)(H,126,150)(H,127,159)(H,128,160)(H,129,161)(H,131,151)(H,132,156)(H,133,157)(H,134,158)(H,135,152)(H,136,153)(H,137,154)(H,138,155)(H,139,162)(H,140,163)(H,141,164)/t83-,84-,85-,92-,93-,94-,95-,96-,97-,98-,99-,100-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 50n/an/an/an/an/an/a



Institut de Biologie Moléculaire et Cellulaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance method


Nat Chem Biol 1: 377-82 (2005)

More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 5


(Homo sapiens)
BDBM50325994
PNG
((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S,7S,7'S,7''S)-...)
Show SMILES C[C@H]1NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC1=O
Show InChI InChI=1S/C123H183N27O27/c1-76-109(163)145-95(29-14-23-62-131-104(158)32-8-5-20-65-134-116(170)98(68-80-36-48-86(152)49-37-80)149-122(176)101(71-83-42-54-89(155)55-43-83)143-107(161)74-137-113(167)92(128)26-11-17-59-125)119(173)140-78(3)111(165)147-96(30-15-24-63-132-105(159)33-9-6-21-66-135-117(171)99(69-81-38-50-87(153)51-39-81)150-123(177)102(72-84-44-56-90(156)57-45-84)144-108(162)75-138-114(168)93(129)27-12-18-60-126)120(174)141-77(2)110(164)146-94(118(172)139-76)28-13-22-61-130-103(157)31-7-4-19-64-133-115(169)97(67-79-34-46-85(151)47-35-79)148-121(175)100(70-82-40-52-88(154)53-41-82)142-106(160)73-136-112(166)91(127)25-10-16-58-124/h34-57,76-78,91-102,151-156H,4-33,58-75,124-129H2,1-3H3,(H,130,157)(H,131,158)(H,132,159)(H,133,169)(H,134,170)(H,135,171)(H,136,166)(H,137,167)(H,138,168)(H,139,172)(H,140,173)(H,141,174)(H,142,160)(H,143,161)(H,144,162)(H,145,163)(H,146,164)(H,147,165)(H,148,175)(H,149,176)(H,150,177)/t76-,77-,78-,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 78n/an/an/an/an/an/a



Institut de Biologie Moléculaire et Cellulaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance method


Nat Chem Biol 1: 377-82 (2005)

More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 5


(Homo sapiens)
BDBM50325996
PNG
(CHEMBL1241019 | N1-((5S,11S,14S,44S,47S,53S)-1,5,5...)
Show SMILES NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCC(=O)NCCCOCC(COCCCNC(=O)CCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)(COCCCNC(=O)CCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)CCC(N)=O
Show InChI InChI=1S/C113H169N23O26/c114-51-10-7-19-87(117)104(151)127-69-101(148)130-93(66-78-31-43-84(140)44-32-78)110(157)133-90(63-75-25-37-81(137)38-26-75)107(154)124-54-13-1-4-22-97(144)121-57-16-60-160-72-113(136-100(147)50-49-96(120)143,73-161-61-17-58-122-98(145)23-5-2-14-55-125-108(155)91(64-76-27-39-82(138)40-28-76)134-111(158)94(67-79-33-45-85(141)46-34-79)131-102(149)70-128-105(152)88(118)20-8-11-52-115)74-162-62-18-59-123-99(146)24-6-3-15-56-126-109(156)92(65-77-29-41-83(139)42-30-77)135-112(159)95(68-80-35-47-86(142)48-36-80)132-103(150)71-129-106(153)89(119)21-9-12-53-116/h25-48,87-95,137-142H,1-24,49-74,114-119H2,(H2,120,143)(H,121,144)(H,122,145)(H,123,146)(H,124,154)(H,125,155)(H,126,156)(H,127,151)(H,128,152)(H,129,153)(H,130,148)(H,131,149)(H,132,150)(H,133,157)(H,134,158)(H,135,159)(H,136,147)/t87-,88-,89-,90-,91-,92-,93-,94-,95-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



Institut de Biologie Moléculaire et Cellulaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance method


Nat Chem Biol 1: 377-82 (2005)

More data for this
Ligand-Target Pair