BDBM50325996 CHEMBL1241019::N1-((5S,11S,14S,44S,47S,53S)-1,5,53,57-tetraamino-29-((15S,18S,24S)-24,28-diamino-15,18-bis(4-hydroxybenzyl)-7,14,17,20,23-pentaoxo-2-oxa-6,13,16,19,22-pentaazaoctacosyl)-11,14,44,47-tetrakis(4-hydroxybenzyl)-6,9,12,15,22,36,43,46,49,52-decaoxo-27,31-dioxa-7,10,13,16,23,35,42,45,48,51-decaazaheptapentacontan-29-yl)succinamide

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

InChI Key: InChIKey=UNHGPJBCVIVFBX-AIAPBGOKSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50325996   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tumor necrosis factor receptor superfamily member 5 (Homo sapiens (Human))	BDBM50325996 (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 UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/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