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BDBM50239336 CHEMBL4093531

SMILES: Cl.Cl.Cl.Cl.CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCNC(N)=N)c5OCCCNC(N)=N)C(C)(C)C)c4OCCCNC(N)=N)C(C)(C)C)c3OCCCNC(N)=N)C(C)(C)C

InChI Key: InChIKey=ZOFKDTZQKVGJFS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239336   
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
Lymphocyte antigen 96


(Homo sapiens (Human))		BDBM50239336
PNG
(CHEMBL4093531)
Show SMILES Cl.Cl.Cl.Cl.CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCNC(N)=N)c5OCCCNC(N)=N)C(C)(C)C)c4OCCCNC(N)=N)C(C)(C)C)c3OCCCNC(N)=N)C(C)(C)C
Show InChI InChI=1S/C60H92N12O4/c1-57(2,3)45-29-37-25-39-31-46(58(4,5)6)33-41(50(39)74-22-14-18-70-54(63)64)27-43-35-48(60(10,11)12)36-44(52(43)76-24-16-20-72-56(67)68)28-42-34-47(59(7,8)9)32-40(51(42)75-23-15-19-71-55(65)66)26-38(30-45)49(37)73-21-13-17-69-53(61)62/h29-36H,13-28H2,1-12H3,(H4,61,62,69)(H4,63,64,70)(H4,65,66,71)(H4,67,68,72)
PDB

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UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Milano-Bicocca

Curated by ChEMBL


Assay Description
Binding affinity to CD14/MD2 (unknown origin) expressed in HEK-Blue cells co-expressing TLR4 assessed as inhibition of LPS-induced TLR4 signaling pre...

J Med Chem 60: 4882-4892 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00095
BindingDB Entry DOI: 10.7270/Q2C24ZJ0
More data for this
Ligand-Target Pair