null

SMILES: Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12

InChI Key: InChIKey=MKGTVFYRRREUBJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50380489   

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 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-6 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of gardiquimod-induced NFkappaB activation by sAP reporter gene ...				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at human TLR8 expressed in HEK-Blue cells assessed as inhibition of CL075-induced NFkappaB activation by sAP reporter gene assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-8 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-TNF-alpha release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-8 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced CCL2 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced TNF-alpha release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-1beta release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced CXCL10 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced CCL2 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced IL-1beta release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR8 in human PBMC assessed as inhibition of CL075-induced CXCL10 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380489 (CHEMBL2018888) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C37H32N8/c38-36-32-34(26-16-7-9-18-28(26)40-36)44(22-24-12-3-1-4-13-24)30(42-32)20-11-21-31-43-33-35(45(31)23-25-14-5-2-6-15-25)27-17-8-10-19-29(27)41-37(33)39/h1-10,12-19H,11,20-23H2,(H2,38,40)(H2,39,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in human PBMC assessed as inhibition of gardiquimod-induced IL-6 release after 12 hrs by bead array assay				J Med Chem 55: 1106-16 (2012) Article DOI: 10.1021/jm2010207 BindingDB Entry DOI: 10.7270/Q2VH5PVX
					More data for this Ligand-Target Pair