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SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC

InChI Key: InChIKey=CIFGNXDMKMWEHE-NCBBUXQSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50526710   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Toll-like receptor 2


(Homo sapiens (Human))		BDBM50526710
PNG
(CHEMBL4560927)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O)OC(=O)CCCCCCCCCCCCCCC |r|
Show InChI InChI=1S/C116H207N21O24S2/c1-13-16-18-20-22-24-26-28-30-32-34-36-38-56-97(142)160-72-81(161-98(143)57-39-37-35-33-31-29-27-25-23-21-19-17-14-2)73-163-74-83(121)102(144)133-94(70-138)112(154)127-87(54-44-48-63-119)105(147)125-85(52-42-46-61-117)103(145)124-86(53-43-47-62-118)104(146)126-88(55-45-49-64-120)106(148)134-95(71-139)113(155)131-92(67-76(6)7)110(152)130-91(66-75(4)5)109(151)128-90(60-65-162-12)107(149)132-93(68-80-69-123-84-51-41-40-50-82(80)84)111(153)136-100(78(10)15-3)114(156)137-101(79(11)140)115(157)129-89(58-59-96(122)141)108(150)135-99(77(8)9)116(158)159/h40-41,50-51,69,75-79,81,83,85-95,99-101,123,138-140H,13-39,42-49,52-68,70-74,117-121H2,1-12H3,(H2,122,141)(H,124,145)(H,125,147)(H,126,146)(H,127,154)(H,128,151)(H,129,157)(H,130,152)(H,131,155)(H,132,149)(H,133,144)(H,134,148)(H,135,150)(H,136,153)(H,137,156)(H,158,159)/t78-,79+,81+,83-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,99-,100-,101-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.468n/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Agonist activity at human TLR2 expressed in HEK-Blue cells co-expressing NF-kappaB-SEAP reporter gene measured after 16 hrs by SEAP reporter gene ass...

J Med Chem 63: 2282-2291 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01044
BindingDB Entry DOI: 10.7270/Q2NV9NPC
More data for this
Ligand-Target Pair