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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for UniProtKB: P35913   
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 1/2


(Homo sapiens (Human))		BDBM50463542
PNG
(CHEMBL4243009)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C69H91N15O15/c1-5-40(4)58(83-59(89)48(70)35-45-37-73-38-75-45)67(97)84-29-13-19-56(84)66(96)76-49(18-12-28-74-69(71)72)60(90)78-51(31-41-14-8-6-9-15-41)63(93)80-53(33-43-20-24-46(85)25-21-43)62(92)77-50(30-39(2)3)61(91)79-52(32-42-16-10-7-11-17-42)64(94)81-54(34-44-22-26-47(86)27-23-44)65(95)82-55(68(98)99)36-57(87)88/h6-11,14-17,20-27,37-40,48-56,58,85-86H,5,12-13,18-19,28-36,70H2,1-4H3,(H,73,75)(H,76,96)(H,77,92)(H,78,90)(H,79,91)(H,80,93)(H,81,94)(H,82,95)(H,83,89)(H,87,88)(H,98,99)(H4,71,72,74)/t40-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.92E+4n/an/an/an/an/an/a



Medical University Innsbruck

Curated by ChEMBL


Assay Description
Antagonist activity at FLAG-tagged human TLR2/TLR1 expressed in HEK293 cells co-expressing pGL3-Elam.luc assessed as inhibition of Pam3CSK4-stimulate...

Bioorg Med Chem 26: 4615-4623 (2018)


Article DOI: 10.1016/j.bmc.2018.07.013
BindingDB Entry DOI: 10.7270/Q25X2CMV
More data for this
Ligand-Target Pair