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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor receptor superfamily member 5' and Ligand = 'BDBM50325995'   
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
Tumor necrosis factor receptor superfamily member 5


(Homo sapiens (Human))		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 |r|
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

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Similars
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)


BindingDB Entry DOI: 10.7270/Q2WD40SN
More data for this
Ligand-Target Pair