Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50000444   

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 4 (Homo sapiens (Human))	BDBM50250403 (CHEMBL2386454) Show SMILES Cn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H26N4O2S/c1-28-20-15-9-8-14-19(20)22-23(28)24(31)29(18-12-6-3-7-13-18)25(27-22)32-16-21(30)26-17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.26E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250423 (CHEMBL4105577) Show SMILES CCCCCCCC(=O)Nc1ccc2n(C)c3c(nc(SCC(=O)NC4CCCCC4)n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C33H41N5O3S/c1-3-4-5-6-13-18-28(39)35-24-19-20-27-26(21-24)30-31(37(27)2)32(41)38(25-16-11-8-12-17-25)33(36-30)42-22-29(40)34-23-14-9-7-10-15-23/h8,11-12,16-17,19-21,23H,3-7,9-10,13-15,18,22H2,1-2H3,(H,34,40)(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250405 (CHEMBL4065144) Show SMILES Cn1c2ccccc2c2nc(NCCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C26H29N5O2/c1-30-21-15-9-8-14-20(21)23-24(30)25(33)31(19-12-6-3-7-13-19)26(29-23)27-17-16-22(32)28-18-10-4-2-5-11-18/h3,6-9,12-15,18H,2,4-5,10-11,16-17H2,1H3,(H,27,29)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250406 (CHEMBL4092815) Show SMILES Cn1c2ccccc2c2nc(OCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H26N4O3/c1-28-20-15-9-8-14-19(20)22-23(28)24(31)29(18-12-6-3-7-13-18)25(27-22)32-16-21(30)26-17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250407 (CHEMBL4085061) Show SMILES O=C(CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C26H28N4O2S/c31-22(27-18-10-3-1-4-11-18)16-9-17-33-26-29-23-20-14-7-8-15-21(20)28-24(23)25(32)30(26)19-12-5-2-6-13-19/h2,5-8,12-15,18,28H,1,3-4,9-11,16-17H2,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250408 (CHEMBL4095263) Show SMILES O=c1n(c(SCCCC2CCCCC2)nc2c3ccccc3[nH]c12)-c1ccccc1 Show InChI InChI=1S/C25H27N3OS/c29-24-23-22(20-15-7-8-16-21(20)26-23)27-25(28(24)19-13-5-2-6-14-19)30-17-9-12-18-10-3-1-4-11-18/h2,5-8,13-16,18,26H,1,3-4,9-12,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250409 (CHEMBL4074812) Show SMILES O=C(CSc1nc2c3CCCCCc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C25H30N4O2S/c30-21(26-17-10-4-1-5-11-17)16-32-25-28-22-19-14-8-3-9-15-20(19)27-23(22)24(31)29(25)18-12-6-2-7-13-18/h2,6-7,12-13,17,27H,1,3-5,8-11,14-16H2,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.42E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250410 (CHEMBL4089458) Show SMILES O=C(CSc1nc2c3CCCCc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C24H28N4O2S/c29-20(25-16-9-3-1-4-10-16)15-31-24-27-21-18-13-7-8-14-19(18)26-22(21)23(30)28(24)17-11-5-2-6-12-17/h2,5-6,11-12,16,26H,1,3-4,7-10,13-15H2,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250411 (CHEMBL4061465) Show SMILES Cn1c2CCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H30N4O2S/c1-28-20-15-9-8-14-19(20)22-23(28)24(31)29(18-12-6-3-7-13-18)25(27-22)32-16-21(30)26-17-10-4-2-5-11-17/h3,6-7,12-13,17H,2,4-5,8-11,14-16H2,1H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250412 (CHEMBL4091234) Show SMILES Cc1c(C)c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c2n1C Show InChI InChI=1S/C23H28N4O2S/c1-15-16(2)26(3)21-20(15)25-23(27(22(21)29)18-12-8-5-9-13-18)30-14-19(28)24-17-10-6-4-7-11-17/h5,8-9,12-13,17H,4,6-7,10-11,14H2,1-3H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250413 (CHEMBL4078865) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1cccc2ccccc12 Show InChI InChI=1S/C35H32N4O2S/c1-38-30-20-19-24(28-18-10-12-23-11-8-9-17-27(23)28)21-29(30)32-33(38)34(41)39(26-15-6-3-7-16-26)35(37-32)42-22-31(40)36-25-13-4-2-5-14-25/h3,6-12,15-21,25H,2,4-5,13-14,22H2,1H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250414 (CHEMBL4086723) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#C[Si](C)(C)C Show InChI InChI=1S/C30H34N4O2SSi/c1-33-25-16-15-21(17-18-38(2,3)4)19-24(25)27-28(33)29(36)34(23-13-9-6-10-14-23)30(32-27)37-20-26(35)31-22-11-7-5-8-12-22/h6,9-10,13-16,19,22H,5,7-8,11-12,20H2,1-4H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250415 (CHEMBL4065290) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#C Show InChI InChI=1S/C27H26N4O2S/c1-3-18-14-15-22-21(16-18)24-25(30(22)2)26(33)31(20-12-8-5-9-13-20)27(29-24)34-17-23(32)28-19-10-6-4-7-11-19/h1,5,8-9,12-16,19H,4,6-7,10-11,17H2,2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250416 (CHEMBL4063373) Show SMILES O=C(CSc1nc2cc[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C20H22N4O2S/c25-17(22-14-7-3-1-4-8-14)13-27-20-23-16-11-12-21-18(16)19(26)24(20)15-9-5-2-6-10-15/h2,5-6,9-12,14,21H,1,3-4,7-8,13H2,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250417 (CHEMBL4101433) Show SMILES Cn1c2ccc(Br)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H25BrN4O2S/c1-29-20-13-12-16(26)14-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250418 (CHEMBL4073017) Show SMILES Cn1c2ccc(I)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H25IN4O2S/c1-29-20-13-12-16(26)14-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250419 (CHEMBL4064434) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#N Show InChI InChI=1S/C26H25N5O2S/c1-30-21-13-12-17(15-27)14-20(21)23-24(30)25(33)31(19-10-6-3-7-11-19)26(29-23)34-16-22(32)28-18-8-4-2-5-9-18/h3,6-7,10-14,18H,2,4-5,8-9,16H2,1H3,(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250420 (CHEMBL4085969) Show SMILES Cn1c2cc(ccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#N Show InChI InChI=1S/C26H25N5O2S/c1-30-21-14-17(15-27)12-13-20(21)23-24(30)25(33)31(19-10-6-3-7-11-19)26(29-23)34-16-22(32)28-18-8-4-2-5-9-18/h3,6-7,10-14,18H,2,4-5,8-9,16H2,1H3,(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250421 (CHEMBL4097843) Show SMILES Cn1c2ccc(N)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H27N5O2S/c1-29-20-13-12-16(26)14-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15,26H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250423 (CHEMBL4105577) Show SMILES CCCCCCCC(=O)Nc1ccc2n(C)c3c(nc(SCC(=O)NC4CCCCC4)n(-c4ccccc4)c3=O)c2c1 Show InChI InChI=1S/C33H41N5O3S/c1-3-4-5-6-13-18-28(39)35-24-19-20-27-26(21-24)30-31(37(27)2)32(41)38(25-16-11-8-12-17-25)33(36-30)42-22-29(40)34-23-14-9-7-10-15-23/h8,11-12,16-17,19-21,23H,3-7,9-10,13-15,18,22H2,1-2H3,(H,34,40)(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250424 (CHEMBL4087701) Show SMILES Cn1c2ccc(NC(=O)CCC(O)=O)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C29H31N5O5S/c1-33-22-13-12-19(31-23(35)14-15-25(37)38)16-21(22)26-27(33)28(39)34(20-10-6-3-7-11-20)29(32-26)40-17-24(36)30-18-8-4-2-5-9-18/h3,6-7,10-13,16,18H,2,4-5,8-9,14-15,17H2,1H3,(H,30,36)(H,31,35)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250433 (CHEMBL4095394) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C37H34N4O2S/c1-40-32-22-21-28(27-19-17-26(18-20-27)25-11-5-2-6-12-25)23-31(32)34-35(40)36(43)41(30-15-9-4-10-16-30)37(39-34)44-24-33(42)38-29-13-7-3-8-14-29/h2,4-6,9-12,15-23,29H,3,7-8,13-14,24H2,1H3,(H,38,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250413 (CHEMBL4078865) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1cccc2ccccc12 Show InChI InChI=1S/C35H32N4O2S/c1-38-30-20-19-24(28-18-10-12-23-11-8-9-17-27(23)28)21-29(30)32-33(38)34(41)39(26-15-6-3-7-16-26)35(37-32)42-22-31(40)36-25-13-4-2-5-14-25/h3,6-12,15-21,25H,2,4-5,13-14,22H2,1H3,(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250434 (CHEMBL4103142) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C35H32N4O2S/c1-38-30-19-18-26(25-17-16-23-10-8-9-11-24(23)20-25)21-29(30)32-33(38)34(41)39(28-14-6-3-7-15-28)35(37-32)42-22-31(40)36-27-12-4-2-5-13-27/h3,6-11,14-21,27H,2,4-5,12-13,22H2,1H3,(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250415 (CHEMBL4065290) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#C Show InChI InChI=1S/C27H26N4O2S/c1-3-18-14-15-22-21(16-18)24-25(30(22)2)26(33)31(20-12-8-5-9-13-20)27(29-24)34-17-23(32)28-19-10-6-4-7-11-19/h1,5,8-9,12-16,19H,4,6-7,10-11,17H2,2H3,(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.27E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250403 (CHEMBL2386454) Show SMILES Cn1c2ccccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H26N4O2S/c1-28-20-15-9-8-14-19(20)22-23(28)24(31)29(18-12-6-3-7-13-18)25(27-22)32-16-21(30)26-17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250435 (CHEMBL4100545) Show SMILES Cn1c2ccccc2c2nc(NCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H27N5O2/c1-29-20-15-9-8-14-19(20)22-23(29)24(32)30(18-12-6-3-7-13-18)25(28-22)26-16-21(31)27-17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,26,28)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250405 (CHEMBL4065144) Show SMILES Cn1c2ccccc2c2nc(NCCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C26H29N5O2/c1-30-21-15-9-8-14-20(21)23-24(30)25(33)31(19-12-6-3-7-13-19)26(29-23)27-17-16-22(32)28-18-10-4-2-5-11-18/h3,6-9,12-15,18H,2,4-5,10-11,16-17H2,1H3,(H,27,29)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250406 (CHEMBL4092815) Show SMILES Cn1c2ccccc2c2nc(OCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H26N4O3/c1-28-20-15-9-8-14-19(20)22-23(28)24(31)29(18-12-6-3-7-13-18)25(27-22)32-16-21(30)26-17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250407 (CHEMBL4085061) Show SMILES O=C(CCCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C26H28N4O2S/c31-22(27-18-10-3-1-4-11-18)16-9-17-33-26-29-23-20-14-7-8-15-21(20)28-24(23)25(32)30(26)19-12-5-2-6-13-19/h2,5-8,12-15,18,28H,1,3-4,9-11,16-17H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250408 (CHEMBL4095263) Show SMILES O=c1n(c(SCCCC2CCCCC2)nc2c3ccccc3[nH]c12)-c1ccccc1 Show InChI InChI=1S/C25H27N3OS/c29-24-23-22(20-15-7-8-16-21(20)26-23)27-25(28(24)19-13-5-2-6-14-19)30-17-9-12-18-10-3-1-4-11-18/h2,5-8,13-16,18,26H,1,3-4,9-12,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250409 (CHEMBL4074812) Show SMILES O=C(CSc1nc2c3CCCCCc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C25H30N4O2S/c30-21(26-17-10-4-1-5-11-17)16-32-25-28-22-19-14-8-3-9-15-20(19)27-23(22)24(31)29(25)18-12-6-2-7-13-18/h2,6-7,12-13,17,27H,1,3-5,8-11,14-16H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250410 (CHEMBL4089458) Show SMILES O=C(CSc1nc2c3CCCCc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C24H28N4O2S/c29-20(25-16-9-3-1-4-10-16)15-31-24-27-21-18-13-7-8-14-19(18)26-22(21)23(30)28(24)17-11-5-2-6-12-17/h2,5-6,11-12,16,26H,1,3-4,7-10,13-15H2,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250411 (CHEMBL4061465) Show SMILES Cn1c2CCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H30N4O2S/c1-28-20-15-9-8-14-19(20)22-23(28)24(31)29(18-12-6-3-7-13-18)25(27-22)32-16-21(30)26-17-10-4-2-5-11-17/h3,6-7,12-13,17H,2,4-5,8-11,14-16H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250412 (CHEMBL4091234) Show SMILES Cc1c(C)c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c2n1C Show InChI InChI=1S/C23H28N4O2S/c1-15-16(2)26(3)21-20(15)25-23(27(22(21)29)18-12-8-5-9-13-18)30-14-19(28)24-17-10-6-4-7-11-17/h5,8-9,12-13,17H,4,6-7,10-11,14H2,1-3H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250416 (CHEMBL4063373) Show SMILES O=C(CSc1nc2cc[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C20H22N4O2S/c25-17(22-14-7-3-1-4-8-14)13-27-20-23-16-11-12-21-18(16)19(26)24(20)15-9-5-2-6-10-15/h2,5-6,9-12,14,21H,1,3-4,7-8,13H2,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250436 (CHEMBL4083446) Show SMILES Cn1ccc2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C21H24N4O2S/c1-24-13-12-17-19(24)20(27)25(16-10-6-3-7-11-16)21(23-17)28-14-18(26)22-15-8-4-2-5-9-15/h3,6-7,10-13,15H,2,4-5,8-9,14H2,1H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250418 (CHEMBL4073017) Show SMILES Cn1c2ccc(I)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H25IN4O2S/c1-29-20-13-12-16(26)14-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250437 (CHEMBL4093716) Show SMILES Cn1c2cc(Br)ccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H25BrN4O2S/c1-29-20-14-16(26)12-13-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.89E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250420 (CHEMBL4085969) Show SMILES Cn1c2cc(ccc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)C#N Show InChI InChI=1S/C26H25N5O2S/c1-30-21-14-17(15-27)12-13-20(21)23-24(30)25(33)31(19-10-6-3-7-11-19)26(29-23)34-16-22(32)28-18-8-4-2-5-9-18/h3,6-7,10-14,18H,2,4-5,8-9,16H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250421 (CHEMBL4097843) Show SMILES Cn1c2ccc(N)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H27N5O2S/c1-29-20-13-12-16(26)14-19(20)22-23(29)24(32)30(18-10-6-3-7-11-18)25(28-22)33-15-21(31)27-17-8-4-2-5-9-17/h3,6-7,10-14,17H,2,4-5,8-9,15,26H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250438 (CHEMBL4079815) Show SMILES Cn1c2ccc(NC(=O)c3ccccc3)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C32H31N5O3S/c1-36-26-18-17-23(34-30(39)21-11-5-2-6-12-21)19-25(26)28-29(36)31(40)37(24-15-9-4-10-16-24)32(35-28)41-20-27(38)33-22-13-7-3-8-14-22/h2,4-6,9-12,15-19,22H,3,7-8,13-14,20H2,1H3,(H,33,38)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250424 (CHEMBL4087701) Show SMILES Cn1c2ccc(NC(=O)CCC(O)=O)cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C29H31N5O5S/c1-33-22-13-12-19(31-23(35)14-15-25(37)38)16-21(22)26-27(33)28(39)34(20-10-6-3-7-11-20)29(32-26)40-17-24(36)30-18-8-4-2-5-9-18/h3,6-7,10-13,16,18H,2,4-5,8-9,14-15,17H2,1H3,(H,30,36)(H,31,35)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250439 (CHEMBL4068003) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1ccccc1 Show InChI InChI=1S/C31H30N4O2S/c1-34-26-18-17-22(21-11-5-2-6-12-21)19-25(26)28-29(34)30(37)35(24-15-9-4-10-16-24)31(33-28)38-20-27(36)32-23-13-7-3-8-14-23/h2,4-6,9-12,15-19,23H,3,7-8,13-14,20H2,1H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	820	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250433 (CHEMBL4095394) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C37H34N4O2S/c1-40-32-22-21-28(27-19-17-26(18-20-27)25-11-5-2-6-12-25)23-31(32)34-35(40)36(43)41(30-15-9-4-10-16-30)37(39-34)44-24-33(42)38-29-13-7-3-8-14-29/h2,4-6,9-12,15-23,29H,3,7-8,13-14,24H2,1H3,(H,38,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250435 (CHEMBL4100545) Show SMILES Cn1c2ccccc2c2nc(NCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C25H27N5O2/c1-29-20-15-9-8-14-19(20)22-23(29)24(32)30(18-12-6-3-7-13-18)25(28-22)26-16-21(31)27-17-10-4-2-5-11-17/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,26,28)(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250445 (CHEMBL4103009) Show SMILES O=C(CCSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)NC1CCCCC1 Show InChI InChI=1S/C25H26N4O2S/c30-21(26-17-9-3-1-4-10-17)15-16-32-25-28-22-19-13-7-8-14-20(19)27-23(22)24(31)29(25)18-11-5-2-6-12-18/h2,5-8,11-14,17,27H,1,3-4,9-10,15-16H2,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250446 (CHEMBL4061301) Show SMILES Cn1c2CCCCCc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C26H32N4O2S/c1-29-21-16-10-4-9-15-20(21)23-24(29)25(32)30(19-13-7-3-8-14-19)26(28-23)33-17-22(31)27-18-11-5-2-6-12-18/h3,7-8,13-14,18H,2,4-6,9-12,15-17H2,1H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Homo sapiens (Human))	BDBM50250447 (CHEMBL4077062) Show SMILES Cc1[nH]c2c(nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c2=O)c1C Show InChI InChI=1S/C22H26N4O2S/c1-14-15(2)23-20-19(14)25-22(26(21(20)28)17-11-7-4-8-12-17)29-13-18(27)24-16-9-5-3-6-10-16/h4,7-8,11-12,16,23H,3,5-6,9-10,13H2,1-2H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at human TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair
Toll-like receptor 4 (Mus musculus)	BDBM50250434 (CHEMBL4103142) Show SMILES Cn1c2ccc(cc2c2nc(SCC(=O)NC3CCCCC3)n(-c3ccccc3)c(=O)c12)-c1ccc2ccccc2c1 Show InChI InChI=1S/C35H32N4O2S/c1-38-30-19-18-26(25-17-16-23-10-8-9-11-24(23)20-25)21-29(30)32-33(38)34(41)39(28-14-6-3-7-15-28)35(37-32)42-22-31(40)36-27-12-4-2-5-13-27/h3,6-11,14-21,27H,2,4-5,12-13,22H2,1H3,(H,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Agonist activity at mouse TLR4 expressed in HEK293 blue cells assessed as induction of NF-kappaB activation-mediated SEAP production after 20 to 24 h...				J Med Chem 60: 9142-9161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00797 BindingDB Entry DOI: 10.7270/Q2TQ63ZC
					More data for this Ligand-Target Pair

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