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SMILES: CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CO)cc5Sc4c3)c2n1

InChI Key: InChIKey=RXSQPGSOKXBJSG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 419193   

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
Toll-like receptor 7 (Homo sapiens (Human))	BDBM419193 (US10457681, Compound Ia-01 | US10487084, Compound ...) Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CO)cc5Sc4c3)c2n1 Show InChI InChI=1S/C24H26N6O3S/c1-3-4-9-33-23-27-21(25)20-22(28-23)30(24(32)26-20)12-14-5-7-16-18(10-14)34-19-11-15(13-31)6-8-17(19)29(16)2/h5-8,10-11,31H,3-4,9,12-13H2,1-2H3,(H,26,32)(H2,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	16	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
Interleukin-6 (Homo sapiens (Human))	BDBM419193 (US10457681, Compound Ia-01 | US10487084, Compound ...) Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CO)cc5Sc4c3)c2n1 Show InChI InChI=1S/C24H26N6O3S/c1-3-4-9-33-23-27-21(25)20-22(28-23)30(24(32)26-20)12-14-5-7-16-18(10-14)34-19-11-15(13-31)6-8-17(19)29(16)2/h5-8,10-11,31H,3-4,9,12-13H2,1-2H3,(H,26,32)(H2,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	108	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
Interleukin-6 (Homo sapiens (Human))	BDBM419193 (US10457681, Compound Ia-01 | US10487084, Compound ...) Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CO)cc5Sc4c3)c2n1 Show InChI InChI=1S/C24H26N6O3S/c1-3-4-9-33-23-27-21(25)20-22(28-23)30(24(32)26-20)12-14-5-7-16-18(10-14)34-19-11-15(13-31)6-8-17(19)29(16)2/h5-8,10-11,31H,3-4,9,12-13H2,1-2H3,(H,26,32)(H2,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Companay US Patent					Assay Description Compounds diluted in DMSO were transferred to individual wells of a Matrix Technologies clear, V-bottom 384-well plate using ECHO acoustic liquid han...				US Patent US10981914 (2021)
					More data for this Ligand-Target Pair
Interleukin-6 (Homo sapiens (Human))	BDBM419193 (US10457681, Compound Ia-01 | US10487084, Compound ...) Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CO)cc5Sc4c3)c2n1 Show InChI InChI=1S/C24H26N6O3S/c1-3-4-9-33-23-27-21(25)20-22(28-23)30(24(32)26-20)12-14-5-7-16-18(10-14)34-19-11-15(13-31)6-8-17(19)29(16)2/h5-8,10-11,31H,3-4,9,12-13H2,1-2H3,(H,26,32)(H2,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	250	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 Technologies clear, V-bottom 384-well plate using ECHO acoustic liquid han...				US Patent US10457681 (2019) BindingDB Entry DOI: 10.7270/Q2N87D54
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM419193 (US10457681, Compound Ia-01 | US10487084, Compound ...) Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CO)cc5Sc4c3)c2n1 Show InChI InChI=1S/C24H26N6O3S/c1-3-4-9-33-23-27-21(25)20-22(28-23)30(24(32)26-20)12-14-5-7-16-18(10-14)34-19-11-15(13-31)6-8-17(19)29(16)2/h5-8,10-11,31H,3-4,9,12-13H2,1-2H3,(H,26,32)(H2,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Companay US Patent					Assay Description Engineered human embryonic kidney blue cells (HEK-Blue™ TLR cells; Invivogen) possessing a human TLR7-secreted embryonic alkaline phosphatase (SEAP) ...				US Patent US10981914 (2021)
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM419193 (US10457681, Compound Ia-01 | US10487084, Compound ...) Show SMILES CCCCOc1nc(N)c2nc(O)n(Cc3ccc4N(C)c5ccc(CO)cc5Sc4c3)c2n1 Show InChI InChI=1S/C24H26N6O3S/c1-3-4-9-33-23-27-21(25)20-22(28-23)30(24(32)26-20)12-14-5-7-16-18(10-14)34-19-11-15(13-31)6-8-17(19)29(16)2/h5-8,10-11,31H,3-4,9,12-13H2,1-2H3,(H,26,32)(H2,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	50	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 US10457681 (2019) BindingDB Entry DOI: 10.7270/Q2N87D54
					More data for this Ligand-Target Pair