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SMILES: CCCCOc1nc(N)c2nc(O)n(Cc3ccc(nc3)-c3csc(CN)c3)c2n1

InChI Key: InChIKey=LRTMQBKGDGYHTB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420041   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Interleukin-6 (Homo sapiens (Human))	BDBM420041 (US10487084, Compound Ib-02) Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc(nc3)-c3csc(CN)c3)c2n1 Show InChI InChI=1S/C20H23N7O2S/c1-2-3-6-29-19-25-17(22)16-18(26-19)27(20(28)24-16)10-12-4-5-15(23-9-12)13-7-14(8-21)30-11-13/h4-5,7,9,11H,2-3,6,8,10,21H2,1H3,(H,24,28)(H2,22,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	n/a	n/a	7.55	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Compounds diluted in DMSO were transferred to individual wells of a Matrix Tech-nologies clear, V-bottom 384-well plate using ECHO acoustic liquid ha...				US Patent US10487084 (2019) BindingDB Entry DOI: 10.7270/Q2P55QX7
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM420041 (US10487084, Compound Ib-02) Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc(nc3)-c3csc(CN)c3)c2n1 Show InChI InChI=1S/C20H23N7O2S/c1-2-3-6-29-19-25-17(22)16-18(26-19)27(20(28)24-16)10-12-4-5-15(23-9-12)13-7-14(8-21)30-11-13/h4-5,7,9,11H,2-3,6,8,10,21H2,1H3,(H,24,28)(H2,22,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Engineered human embryonic kidney blue cells (HEK-Blue TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) r...				US Patent US10487084 (2019) BindingDB Entry DOI: 10.7270/Q2P55QX7
					More data for this Ligand-Target Pair