BDBM50543138 CHEMBL4646526

SMILES [O-]C(=O)C(F)(F)F.CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NC34CCC(COc5ncc(cc5C)-c5ccnc6[nH]ncc56)(CC3)CC4)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O

InChI Key InChIKey=QFQCUPMAEYXRIF-UHFFFAOYSA-N

Data  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50543138   

TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543138(CHEMBL4646526)
Show SMILES [O-]C(=O)C(F)(F)F.CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NC34CCC(COc5ncc(cc5C)-c5ccnc6[nH]ncc56)(CC3)CC4)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C54H63N7O8S2.C2HF3O2/c1-7-60-44-19-17-38(70(63,64)65)31-42(44)51(3,4)46(60)14-10-8-11-15-47-52(5,6)43-32-39(71(66,67)68)18-20-45(43)61(47)29-13-9-12-16-48(62)58-54-25-22-53(23-26-54,24-27-54)35-69-50-36(2)30-37(33-56-50)40-21-28-55-49-41(40)34-57-59-49;3-2(4,5)1(6)7/h8,10-11,14-15,17-21,28,30-34H,7,9,12-13,16,22-27,29,35H2,1-6H3,(H3-,55,57,58,59,62,63,64,65,66,67,68);(H,6,7)
Affinity DataKd:  65nMAssay Description:Binding affinity to human TLR8 extracellular domain (27 to 827 residues) expressed in Drosophila S2 cells by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid