Compile Data Set for Download or QSAR

Found 17 hits of ic50 for UniProtKB: P58681   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Toll-like receptor 7 (Mus musculus)	BDBM21958 (2-(2,6-dimethylpyridin-4-yl)-3-isopropyl-5-(piperi...) Show SMILES CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1 Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00049 BindingDB Entry DOI: 10.7270/Q2JH3R6P
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50586262 (CHEMBL5091113) Show SMILES Cc1cc(cc(C)n1)-c1cc2[nH]nc(N[C@@H]3CCNC[C@H]3F)c2cc1C1CC1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at mouse TLR7 expressed in human whole blood assessed as inhibition of ssRNA stimulated IFNalpha level preincubated for 30 mins f...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00696 BindingDB Entry DOI: 10.7270/Q2W66QPP
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50543137 (CHEMBL4634860) Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI InChI=1S/C21H25N5O/c1-14-10-15(16-2-9-23-18-17(16)12-25-26-18)11-24-19(14)27-13-20-3-6-21(22,7-4-20)8-5-20/h2,9-12H,3-8,13,22H2,1H3,(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560351 (CHEMBL4748638) Show SMILES Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50543465 (CHEMBL4636498) Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Princ Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in mouse whole blood cells assessed as inhibition of gardiquimod induced IL-6 production by ELISA				ACS Med Chem Lett 11: 1751-1758 (2020) Article DOI: 10.1021/acsmedchemlett.0c00264 BindingDB Entry DOI: 10.7270/Q22N55TH
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560355 (CHEMBL4740968) Show SMILES Cc1cc(cnc1OCC12CCC(O)(CC1)CC2)-c1ccnc2[nH]ncc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560353 (CHEMBL4792072) Show SMILES Cc1cc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nn12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560356 (CHEMBL4755173) Show SMILES Cn1nc(-c2ccc(OCCCC3CCNCC3)c(F)c2)c2cnc(N)nc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560350 (CHEMBL4783510) Show SMILES Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,wD:13.13,(12.65,-25.23,;12.18,-26.7,;13.1,-27.94,;12.2,-29.19,;12.68,-30.66,;11.65,-31.8,;12.14,-33.26,;13.65,-33.57,;14.13,-35.03,;15.64,-35.34,;16.13,-36.8,;17.64,-37.1,;18.12,-38.57,;17.09,-39.72,;17.57,-41.18,;15.58,-39.4,;15.1,-37.94,;14.67,-32.41,;16.18,-32.72,;14.18,-30.95,;10.73,-28.73,;9.39,-29.51,;8.05,-28.73,;8.05,-27.19,;6.72,-26.42,;9.38,-26.42,;10.72,-27.18,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560348 (CHEMBL4796453) Show SMILES [H][C@]12CC[C@]([H])(CC(COc3ccc(cc3F)-c3nn(C)c4nc(N)ncc34)C1)N2 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560349 (CHEMBL4782200) Show SMILES Cn1nc(-c2ccc(OC[C@@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,13.13,(62.57,-3.9,;62.1,-5.36,;63.01,-6.61,;62.11,-7.86,;62.6,-9.32,;61.57,-10.46,;62.05,-11.92,;63.56,-12.24,;64.05,-13.7,;65.56,-14.01,;66.04,-15.47,;65.02,-16.61,;65.5,-18.07,;67.01,-18.38,;67.49,-19.85,;68.03,-17.23,;67.55,-15.77,;64.59,-11.08,;66.1,-11.38,;64.1,-9.62,;60.64,-7.39,;59.3,-8.17,;57.97,-7.4,;57.97,-5.86,;56.64,-5.09,;59.3,-5.09,;60.64,-5.85,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560346 (CHEMBL4743698) Show SMILES CN1CCN(CCCOc2ccc(cc2F)-c2nn(C)c3nc(N)ncc23)CC1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse P4H1 cells assessed as inhibition of imiquimod-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50543142 (CHEMBL4641633) Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12 |r| Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Antagonist activity at TLR7 in mouse whole blood assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followe...				J Med Chem 63: 8276-8295 (2020) Article DOI: 10.1021/acs.jmedchem.0c00130 BindingDB Entry DOI: 10.7270/Q2D22269
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560347 (CHEMBL4776103) Show SMILES Cn1nc(-c2ccc(OCC3CCNCC3)c(F)c2)c2cnc(N)nc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560354 (CHEMBL4740820) Show SMILES Cn1ncc2c(nc(N)nc12)-c1ccc(OCC23CCC(N)(CC2)CC3)c(F)c1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560352 (CHEMBL4745239) Show SMILES Cn1nc(-c2ccc(OCC34CCC(O)(CC3)CC4)c(F)c2)c2cnc(N)nc12 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Mus musculus)	BDBM50560346 (CHEMBL4743698) Show SMILES CN1CCN(CCCOc2ccc(cc2F)-c2nn(C)c3nc(N)ncc23)CC1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 in mouse splenocytes assessed as inhibition of ssRNA40-induced IL6 production				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127366 BindingDB Entry DOI: 10.7270/Q2T43XS2
					More data for this Ligand-Target Pair