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SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCN2C(=O)CC(SC[C@@H](NC(=O)CC[C@@H](N)C(=O)OC)C(=O)NCC(=O)OC)C2=O)cc1

InChI Key: InChIKey=JQXGJCJJRBRHIR-MODKJIOJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344550   
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 7


(Homo sapiens (Human))		BDBM50344550
PNG
((2R)-methyl 2-amino-5-((2S)-3-(1-(3-(4-((4-amino-2...)
Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCN2C(=O)CC(SC[C@@H](NC(=O)CC[C@@H](N)C(=O)OC)C(=O)NCC(=O)OC)C2=O)cc1 |r|
Show InChI InChI=1S/C41H51N9O9S/c1-4-5-10-31-48-36-37(26-8-6-7-9-28(26)47-38(36)43)50(31)22-25-13-11-24(12-14-25)20-44-32(51)17-18-49-34(53)19-30(40(49)56)60-23-29(39(55)45-21-35(54)58-2)46-33(52)16-15-27(42)41(57)59-3/h6-9,11-14,27,29-30H,4-5,10,15-23,42H2,1-3H3,(H2,43,47)(H,44,51)(H,45,55)(H,46,52)/t27-,29-,30?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.20E+3n/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 transfected in HEK reporter cells assessed as NFkappaB induction by specific secreted alkaline phosphatease gene assay

Bioorg Med Chem Lett 21: 3232-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.050
BindingDB Entry DOI: 10.7270/Q2MG7PTQ
More data for this
Ligand-Target Pair