Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'warshakoon' and Initial = 'hj'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Toll-like receptor 2 (Homo sapiens (Human))	BDBM50315416 ((R)-3-((R)-2-Amino-3-((S)-3-hydroxy-1-methoxy-1-ox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CCCCCCCCCCCCCCC)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C42H81N3O7S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-39(47)44-36(34-53-35-37(43)41(49)45-38(32-46)42(50)51-3)33-52-40(48)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-38,46H,4-35,43H2,1-3H3,(H,44,47)(H,45,49)/t36-,37+,38+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of human TLR2 expressed in HEK-Blue-4 cells assessed as induction of NFkappaB by SEAP assay				J Med Chem 53: 3198-213 (2010) Article DOI: 10.1021/jm901839g BindingDB Entry DOI: 10.7270/Q2Q81D7C
					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-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 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
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 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-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-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 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 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 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 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))	BDBM50380495 (CHEMBL2018887) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1 Show InChI InChI=1S/C50H56N10O2/c1-3-5-17-41-57-45-47(37-13-7-9-15-39(37)55-49(45)51)59(41)31-35-25-21-33(22-26-35)29-53-43(61)19-11-12-20-44(62)54-30-34-23-27-36(28-24-34)32-60-42(18-6-4-2)58-46-48(60)38-14-8-10-16-40(38)56-50(46)52/h7-10,13-16,21-28H,3-6,11-12,17-20,29-32H2,1-2H3,(H2,51,55)(H2,52,56)(H,53,61)(H,54,62)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380497 (CHEMBL2018897) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1 Show InChI InChI=1S/C56H68N10O2/c1-3-5-23-47-63-51-53(43-19-15-17-21-45(43)61-55(51)57)65(47)37-41-31-27-39(28-32-41)35-59-49(67)25-13-11-9-7-8-10-12-14-26-50(68)60-36-40-29-33-42(34-30-40)38-66-48(24-6-4-2)64-52-54(66)44-20-16-18-22-46(44)62-56(52)58/h15-22,27-34H,3-14,23-26,35-38H2,1-2H3,(H2,57,61)(H2,58,62)(H,59,67)(H,60,68)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380496 (CHEMBL2018896) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1 Show InChI InChI=1S/C52H60N10O2/c1-3-5-19-43-59-47-49(39-15-11-13-17-41(39)57-51(47)53)61(43)33-37-27-23-35(24-28-37)31-55-45(63)21-9-7-8-10-22-46(64)56-32-36-25-29-38(30-26-36)34-62-44(20-6-4-2)60-48-50(62)40-16-12-14-18-42(40)58-52(48)54/h11-18,23-30H,3-10,19-22,31-34H2,1-2H3,(H2,53,57)(H2,54,58)(H,55,63)(H,56,64)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380499 (CHEMBL2018899) Show SMILES CCCCc1nc2c(N)nc3ccc(N)cc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C22H26N6/c1-2-3-4-19-27-20-21(17-11-16(24)9-10-18(17)26-22(20)25)28(19)13-15-7-5-14(12-23)6-8-15/h5-11H,2-4,12-13,23-24H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380498 (CHEMBL2018898) Show SMILES CCCCc1nc2c(N)nc3ccc(cc3c2n1Cc1ccc(CN)cc1)[N+]([O-])=O Show InChI InChI=1S/C22H24N6O2/c1-2-3-4-19-26-20-21(27(19)13-15-7-5-14(12-23)6-8-15)17-11-16(28(29)30)9-10-18(17)25-22(20)24/h5-11H,2-4,12-13,23H2,1H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380491 (CHEMBL2018893) Show SMILES CCCCc1nc2c(NCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1 Show InChI InChI=1S/C50H58N8/c1-3-5-31-43-55-45-47(57(43)35-37-23-13-11-14-24-37)39-27-17-19-29-41(39)53-49(45)51-33-21-9-7-8-10-22-34-52-50-46-48(40-28-18-20-30-42(40)54-50)58(44(56-46)32-6-4-2)36-38-25-15-12-16-26-38/h11-20,23-30H,3-10,21-22,31-36H2,1-2H3,(H,51,53)(H,52,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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 2 (Homo sapiens (Human))	BDBM50315417 (((R)-3-(2-((R)-2-Amino-3-hydroxypropanamido)ethylt...) Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](CSCCNC(=O)[C@H](N)CO)OC(=O)CCCCCCCCCCCCCCC |r| Show InChI InChI=1S/C40H78N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(44)47-34-36(35-49-32-31-42-40(46)37(41)33-43)48-39(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,43H,3-35,41H2,1-2H3,(H,42,46)/t36-,37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of human TLR2 expressed in HEK-Blue-4 cells assessed as induction of NFkappaB by SEAP assay				J Med Chem 53: 3198-213 (2010) Article DOI: 10.1021/jm901839g BindingDB Entry DOI: 10.7270/Q2Q81D7C
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50380494 (CHEMBL2018895) Show SMILES CCCCc1nc2c(NCCCCCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1 Show InChI InChI=1S/C54H66N8/c1-3-5-35-47-59-49-51(61(47)39-41-27-17-15-18-28-41)43-31-21-23-33-45(43)57-53(49)55-37-25-13-11-9-7-8-10-12-14-26-38-56-54-50-52(44-32-22-24-34-46(44)58-54)62(48(60-50)36-6-4-2)40-42-29-19-16-20-30-42/h15-24,27-34H,3-14,25-26,35-40H2,1-2H3,(H,55,57)(H,56,58)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380490 (CHEMBL2018892) Show SMILES CCCCc1nc2c(NCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1 Show InChI InChI=1S/C46H50N8/c1-3-5-27-39-51-41-43(53(39)31-33-19-9-7-10-20-33)35-23-13-15-25-37(35)49-45(41)47-29-17-18-30-48-46-42-44(36-24-14-16-26-38(36)50-46)54(40(52-42)28-6-4-2)32-34-21-11-8-12-22-34/h7-16,19-26H,3-6,17-18,27-32H2,1-2H3,(H,47,49)(H,48,50)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380493 (CHEMBL2018894) Show SMILES CCCCc1nc2c(NCCCCCCCCCCNc3nc4ccccc4c4n(Cc5ccccc5)c(CCCC)nc34)nc3ccccc3c2n1Cc1ccccc1 Show InChI InChI=1S/C52H62N8/c1-3-5-33-45-57-47-49(59(45)37-39-25-15-13-16-26-39)41-29-19-21-31-43(41)55-51(47)53-35-23-11-9-7-8-10-12-24-36-54-52-48-50(42-30-20-22-32-44(42)56-52)60(46(58-48)34-6-4-2)38-40-27-17-14-18-28-40/h13-22,25-32H,3-12,23-24,33-38H2,1-2H3,(H,53,55)(H,54,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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	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))	BDBM50380501 (CHEMBL2018901) Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C52H62N12O2/c1-3-5-11-43-61-47-49(63(43)31-35-19-15-33(29-53)16-20-35)39-27-37(23-25-41(39)59-51(47)55)57-45(65)13-9-7-8-10-14-46(66)58-38-24-26-42-40(28-38)50-48(52(56)60-42)62-44(12-6-4-2)64(50)32-36-21-17-34(30-54)18-22-36/h15-28H,3-14,29-32,53-54H2,1-2H3,(H2,55,59)(H2,56,60)(H,57,65)(H,58,66)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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 8 (Homo sapiens (Human))	BDBM50380504 (CHEMBL2018891) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.65E+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 8 (Homo sapiens (Human))	BDBM50380497 (CHEMBL2018897) Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)CCCCCCCCCCC(=O)NCc2ccc(Cn3c(CCCC)nc4c(N)nc5ccccc5c34)cc2)cc1 Show InChI InChI=1S/C56H68N10O2/c1-3-5-23-47-63-51-53(43-19-15-17-21-45(43)61-55(51)57)65(47)37-41-31-27-39(28-32-41)35-59-49(67)25-13-11-9-7-8-10-12-14-26-50(68)60-36-40-29-33-42(34-30-40)38-66-48(24-6-4-2)64-52-54(66)44-20-16-18-22-46(44)62-56(52)58/h15-22,27-34H,3-14,23-26,35-38H2,1-2H3,(H2,57,61)(H2,58,62)(H,59,67)(H,60,68)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR8 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380502 (CHEMBL2018902) Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCCCCCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C56H70N12O2/c1-3-5-15-47-65-51-53(67(47)35-39-23-19-37(33-57)20-24-39)43-31-41(27-29-45(43)63-55(51)59)61-49(69)17-13-11-9-7-8-10-12-14-18-50(70)62-42-28-30-46-44(32-42)54-52(56(60)64-46)66-48(16-6-4-2)68(54)36-40-25-21-38(34-58)22-26-40/h19-32H,3-18,33-36,57-58H2,1-2H3,(H2,59,63)(H2,60,64)(H,61,69)(H,62,70)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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))	BDBM50380500 (CHEMBL2018900) Show SMILES CCCCc1nc2c(N)nc3ccc(NC(=O)CCCCC(=O)Nc4ccc5nc(N)c6nc(CCCC)n(Cc7ccc(CN)cc7)c6c5c4)cc3c2n1Cc1ccc(CN)cc1 Show InChI InChI=1S/C50H58N12O2/c1-3-5-9-41-59-45-47(61(41)29-33-17-13-31(27-51)14-18-33)37-25-35(21-23-39(37)57-49(45)53)55-43(63)11-7-8-12-44(64)56-36-22-24-40-38(26-36)48-46(50(54)58-40)60-42(10-6-4-2)62(48)30-34-19-15-32(28-52)16-20-34/h13-26H,3-12,27-30,51-52H2,1-2H3,(H2,53,57)(H2,54,58)(H,55,63)(H,56,64)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human TLR7 expressed in HEK-Blue cells assessed as increase in 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 8 (Homo sapiens (Human))	BDBM50380492 (CHEMBL2018890) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C40H38N8/c41-39-35-37(29-19-11-13-21-31(29)43-39)47(25-27-15-5-3-6-16-27)33(45-35)23-9-1-2-10-24-34-46-36-38(48(34)26-28-17-7-4-8-18-28)30-20-12-14-22-32(30)44-40(36)42/h3-8,11-22H,1-2,9-10,23-26H2,(H2,41,43)(H2,42,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	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 8 (Homo sapiens (Human))	BDBM50380503 (CHEMBL2018889) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C38H34N8/c39-37-33-35(27-17-7-9-19-29(27)41-37)45(23-25-13-3-1-4-14-25)31(43-33)21-11-12-22-32-44-34-36(46(32)24-26-15-5-2-6-16-26)28-18-8-10-20-30(28)42-38(34)40/h1-10,13-20H,11-12,21-24H2,(H2,39,41)(H2,40,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+4	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))	BDBM50380504 (CHEMBL2018891) Show SMILES Nc1nc2ccccc2c2n(Cc3ccccc3)c(CCCCCCCCCCc3nc4c(N)nc5ccccc5c4n3Cc3ccccc3)nc12 Show InChI InChI=1S/C44H46N8/c45-43-39-41(33-23-15-17-25-35(33)47-43)51(29-31-19-9-7-10-20-31)37(49-39)27-13-5-3-1-2-4-6-14-28-38-50-40-42(52(38)30-32-21-11-8-12-22-32)34-24-16-18-26-36(34)48-44(40)46/h7-12,15-26H,1-6,13-14,27-30H2,(H2,45,47)(H2,46,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+4	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
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339295 (2-Amino-6-((R)-4-carboxy-4-dodecanamidobutanamido)...) Show SMILES CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H43N3O8/c1-2-3-4-5-6-7-8-9-10-14-20(28)27-19(24(34)35)15-16-21(29)26-18(23(32)33)13-11-12-17(25)22(30)31/h17-19H,2-16,25H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H,32,33)(H,34,35)/t17?,18?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0270	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339296 (2-((R)-4-Amino-4-carboxybutanamido)-6-dodecanamido...) Show SMILES CCCCCCCCCCCC(=O)NC(CCCC(NC(=O)CC[C@@H](N)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H43N3O8/c1-2-3-4-5-6-7-8-9-10-14-20(28)26-18(23(32)33)12-11-13-19(24(34)35)27-21(29)16-15-17(25)22(30)31/h17-19H,2-16,25H2,1H3,(H,26,28)(H,27,29)(H,30,31)(H,32,33)(H,34,35)/t17-,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.550	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339297 (2-((R)-4-Carboxy-4-dodecanamidobutanamido)-6-dodec...) Show SMILES CCCCCCCCCCCC(=O)NC(CCCC(NC(=O)CC[C@@H](NC(=O)CCCCCCCCCCC)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C36H65N3O9/c1-3-5-7-9-11-13-15-17-19-24-31(40)37-28(34(43)44)22-21-23-29(35(45)46)38-33(42)27-26-30(36(47)48)39-32(41)25-20-18-16-14-12-10-8-6-4-2/h28-30H,3-27H2,1-2H3,(H,37,40)(H,38,42)(H,39,41)(H,43,44)(H,45,46)(H,47,48)/t28?,29?,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.580	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339298 (2-Amino-6-((R)-4-carboxy-4-(dodecylamino)butanamid...) Show SMILES CCCCCCCCCCCCN[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H45N3O7/c1-2-3-4-5-6-7-8-9-10-11-17-26-19(23(31)32)15-16-21(28)27-20(24(33)34)14-12-13-18(25)22(29)30/h18-20,26H,2-17,25H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)/t18?,19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0230	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339299 (2-Amino-6-((R)-4-carboxy-4-(dioctylamino)butanamid...) Show SMILES CCCCCCCCN(CCCCCCCC)[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C28H53N3O7/c1-3-5-7-9-11-13-20-31(21-14-12-10-8-6-4-2)24(28(37)38)18-19-25(32)30-23(27(35)36)17-15-16-22(29)26(33)34/h22-24H,3-21,29H2,1-2H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/t22?,23?,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339300 (2-Amino-6-((R)-4-carboxy-4-(dihexadecylamino)butan...) Show SMILES CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C44H85N3O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36-47(37-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40(44(53)54)34-35-41(48)46-39(43(51)52)33-31-32-38(45)42(49)50/h38-40H,3-37,45H2,1-2H3,(H,46,48)(H,49,50)(H,51,52)(H,53,54)/t38?,39?,40-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339301 (2-Amino-6-((R)-4-carboxy-4-(didodecylamino)butanam...) Show SMILES CCCCCCCCCCCCN(CCCCCCCCCCCC)[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C36H69N3O7/c1-3-5-7-9-11-13-15-17-19-21-28-39(29-22-20-18-16-14-12-10-8-6-4-2)32(36(45)46)26-27-33(40)38-31(35(43)44)25-23-24-30(37)34(41)42/h30-32H,3-29,37H2,1-2H3,(H,38,40)(H,41,42)(H,43,44)(H,45,46)/t30?,31?,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.00150	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339302 ((2R)-5-((4-(2-Amino-4-oxo-4,5-dihydro-1H-imidazol-...) Show SMILES CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCc1[nH]c(N)nc1O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C25H43N5O7/c1-2-3-4-5-6-7-8-9-10-14-20(31)28-19(24(36)37)15-16-21(32)27-18(23(34)35)13-11-12-17-22(33)30-25(26)29-17/h18-19,33H,2-16H2,1H3,(H,27,32)(H,28,31)(H,34,35)(H,36,37)(H3,26,29,30)/t18?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.31	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339303 (2-((R)-4-Carboxy-4-dodecanamidobutanamido)-6-guani...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6](\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C25H45N5O8/c1-2-3-4-5-6-7-8-9-10-14-20(31)29-19(24(37)38)15-16-21(32)28-17(22(33)34)12-11-13-18(23(35)36)30-25(26)27/h17-19H,2-16H2,1H3,(H,28,32)(H,29,31)(H,33,34)(H,35,36)(H,37,38)(H4,26,27,30)/t17?,18?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.622	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339304 (2-Amino-6-((R)-4-amino-5-oxo-5-(undecyloxy)pentana...) Show SMILES CCCCCCCCCCCOC(=O)[C@H](N)CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H43N3O7/c1-2-3-4-5-6-7-8-9-10-16-33-23(32)18(25)14-15-20(27)26-19(22(30)31)13-11-12-17(24)21(28)29/h17-19H,2-16,24-25H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t17?,18-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0660	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339305 (2-Amino-6-((R)-4-amino-5-oxo-5-(undecylamino)penta...) Show SMILES CCCCCCCCCCCNC(=O)[C@H](N)CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H44N4O6/c1-2-3-4-5-6-7-8-9-10-16-26-21(29)17(24)14-15-20(28)27-19(23(32)33)13-11-12-18(25)22(30)31/h17-19H,2-16,24-25H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H,32,33)/t17-,18?,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.826	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339306 (2-Amino-6-((R)-4-dodecanamido-5-oxo-5-(undecyloxy)...) Show SMILES CCCCCCCCCCCOC(=O)[C@@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)NC(=O)CCCCCCCCCCC |r| Show InChI InChI=1S/C35H65N3O8/c1-3-5-7-9-11-13-15-17-19-24-31(39)38-30(35(45)46-27-20-18-16-14-12-10-8-6-4-2)25-26-32(40)37-29(34(43)44)23-21-22-28(36)33(41)42/h28-30H,3-27,36H2,1-2H3,(H,37,40)(H,38,39)(H,41,42)(H,43,44)/t28?,29?,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.134	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339307 ((15R)-10,6-Dibenzyl 15-Ethyl-2,2-dimethyl-4,12,17-...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6](-[#7])-[#6](-[#8])=O)-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r| Show InChI InChI=1S/C24H45N5O7/c1-2-3-4-5-6-7-8-9-10-16-36-23(35)19(29-24(26)27)14-15-20(30)28-18(22(33)34)13-11-12-17(25)21(31)32/h17-19H,2-16,25H2,1H3,(H,28,30)(H,31,32)(H,33,34)(H4,26,27,29)/t17?,18?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.238	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339308 (2-Amino-6-((R)-4-dodecanamido-5-ethoxy-5-oxopentan...) Show SMILES CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(=O)OCC |r| Show InChI InChI=1S/C26H47N3O8/c1-3-5-6-7-8-9-10-11-12-16-22(30)29-21(26(36)37-4-2)17-18-23(31)28-20(25(34)35)15-13-14-19(27)24(32)33/h19-21H,3-18,27H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)(H,34,35)/t19?,20?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0690	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339309 (CHEMBL1689707 | Diethyl 2-Amino-6-((R)-4-amino-5-o...) Show SMILES CCCCCCCCCCCSC(=O)[C@H](N)CCC(=O)NC(CCCC(N)C(=O)OCC)C(=O)OCC |r| Show InChI InChI=1S/C27H51N3O6S/c1-4-7-8-9-10-11-12-13-14-20-37-27(34)22(29)18-19-24(31)30-23(26(33)36-6-3)17-15-16-21(28)25(32)35-5-2/h21-23H,4-20,28-29H2,1-3H3,(H,30,31)/t21?,22-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.181	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339310 ((2R)-5-((6-Amino-1,7-diethoxy-1,7-dioxoheptan-2-yl...) Show SMILES CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC(N)C(=O)OCC)C(=O)OCC)C(O)=O |r| Show InChI InChI=1S/C28H51N3O8/c1-4-7-8-9-10-11-12-13-14-18-24(32)30-22(26(34)35)19-20-25(33)31-23(28(37)39-6-3)17-15-16-21(29)27(36)38-5-2/h21-23H,4-20,29H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)/t21?,22-,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.145	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens (Human))	BDBM50339311 (2-Amino-6-(4-dodecanamidobutanamido)heptanedioic A...) Show SMILES CCCCCCCCCCCC(=O)NCCCC(=O)NC(CCCC(N)C(O)=O)C(O)=O Show InChI InChI=1S/C23H43N3O6/c1-2-3-4-5-6-7-8-9-10-15-20(27)25-17-12-16-21(28)26-19(23(31)32)14-11-13-18(24)22(29)30/h18-19H,2-17,24H2,1H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.504	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NFkappaB induction by spectrophotometric analysis				J Med Chem 54: 1490-510 (2011) Article DOI: 10.1021/jm101535e BindingDB Entry DOI: 10.7270/Q2PV6KPQ
					More data for this Ligand-Target Pair

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