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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 = 'BDBM50325996'   
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))		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 |r|
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

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PC cid
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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)


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