Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'bonnet' and Initial = 'pa'   

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 8 (Homo sapiens (Human))	BDBM50552139 (CHEMBL4790706) Show SMILES COc1ccc2c(ccnc2c1)-c1ccc(O)c(C)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50608585 (CHEMBL5274101) Show SMILES Cc1cc(ccc1O)-c1cccc2cc(O)ccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50587872 (CHEMBL4553089) Show SMILES Cc1cccc(c1)-c1ccnc2c(cnn12)C(N)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50161326 (CHEMBL3787023) Show SMILES CNc1nc2ccc(C)cc2n2c(Br)cnc12 Show InChI InChI=1S/C12H11BrN4/c1-7-3-4-8-9(5-7)17-10(13)6-15-12(17)11(14-2)16-8/h3-6H,1-2H3,(H,14,16)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST tagged IKK2 expressed in baculovirus using Ser/Thr05 peptide as substrate after 60 mins by Z-LYTE assay				Eur J Med Chem 115: 268-74 (2016) Article DOI: 10.1016/j.ejmech.2016.03.006 BindingDB Entry DOI: 10.7270/Q2PC3480
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50161273 (CHEMBL3787275) Show SMILES CNc1nc2ccc(C)cc2n2ccnc12 Show InChI InChI=1S/C12H12N4/c1-8-3-4-9-10(7-8)16-6-5-14-12(16)11(13-2)15-9/h3-7H,1-2H3,(H,13,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	579	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST tagged IKK2 expressed in baculovirus using Ser/Thr05 peptide as substrate after 60 mins by Z-LYTE assay				Eur J Med Chem 115: 268-74 (2016) Article DOI: 10.1016/j.ejmech.2016.03.006 BindingDB Entry DOI: 10.7270/Q2PC3480
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM25919 (BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...) Show SMILES Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 Show InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	644	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST tagged IKK2 expressed in baculovirus using Ser/Thr05 peptide as substrate after 60 mins by Z-LYTE assay				Eur J Med Chem 115: 268-74 (2016) Article DOI: 10.1016/j.ejmech.2016.03.006 BindingDB Entry DOI: 10.7270/Q2PC3480
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50161329 (CHEMBL3786867) Show SMILES CNc1nc2ccc(C)cc2n2c(C)cnc12 Show InChI InChI=1S/C13H14N4/c1-8-4-5-10-11(6-8)17-9(2)7-15-13(17)12(14-3)16-10/h4-7H,1-3H3,(H,14,16)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	773	n/a	n/a	n/a	n/a	n/a	n/a
Lebanese University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST tagged IKK2 expressed in baculovirus using Ser/Thr05 peptide as substrate after 60 mins by Z-LYTE assay				Eur J Med Chem 115: 268-74 (2016) Article DOI: 10.1016/j.ejmech.2016.03.006 BindingDB Entry DOI: 10.7270/Q2PC3480
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515285 (CHEMBL4560840) Show SMILES CCCCc1cc2c(N)nc3ccccc3n2n1 Show InChI InChI=1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515291 (CHEMBL4580838) Show SMILES CC(C)Cc1cc2c(N)nc3ccccc3n2n1 Show InChI InChI=1S/C14H16N4/c1-9(2)7-10-8-13-14(15)16-11-5-3-4-6-12(11)18(13)17-10/h3-6,8-9H,7H2,1-2H3,(H2,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515296 (CHEMBL4471676) Show SMILES CCCCc1cc2c(N)nc3ccc(C)cc3n2n1 Show InChI InChI=1S/C15H18N4/c1-3-4-5-11-9-14-15(16)17-12-7-6-10(2)8-13(12)19(14)18-11/h6-9H,3-5H2,1-2H3,(H2,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515297 (CHEMBL4438604) Show SMILES CCCCc1ncc2c(N)nc3ccccc3n12 Show InChI InChI=1S/C14H16N4/c1-2-3-8-13-16-9-12-14(15)17-10-6-4-5-7-11(10)18(12)13/h4-7,9H,2-3,8H2,1H3,(H2,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515288 (CHEMBL4476592) Show SMILES CC(C)CCc1ncc2c(N)nc3ccccc3n12 Show InChI InChI=1S/C15H18N4/c1-10(2)7-8-14-17-9-13-15(16)18-11-5-3-4-6-12(11)19(13)14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515287 (CHEMBL4576117) Show SMILES CCCCCc1ncc2c(N)nc3ccccc3n12 Show InChI InChI=1S/C15H18N4/c1-2-3-4-9-14-17-10-13-15(16)18-11-7-5-6-8-12(11)19(13)14/h5-8,10H,2-4,9H2,1H3,(H2,16,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515280 (CHEMBL4473255) Show SMILES COCC#Cc1cnc2c(N)nccn12 Show InChI InChI=1S/C10H10N4O/c1-15-6-2-3-8-7-13-10-9(11)12-4-5-14(8)10/h4-5,7H,6H2,1H3,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515293 (CHEMBL4563826) Show SMILES CCCC#Cc1cnc2c(N)nccn12 Show InChI InChI=1S/C11H12N4/c1-2-3-4-5-9-8-14-11-10(12)13-6-7-15(9)11/h6-8H,2-3H2,1H3,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515283 (CHEMBL4439607) Show SMILES CC(C)CCc1cnc2c(N)nccn12 Show InChI InChI=1S/C11H16N4/c1-8(2)3-4-9-7-14-11-10(12)13-5-6-15(9)11/h5-8H,3-4H2,1-2H3,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Bos taurus)	BDBM50229881 (CHEMBL114797) Show SMILES CNc1nc(Br)cn2ccnc12 Show InChI InChI=1S/C7H7BrN4/c1-9-6-7-10-2-3-12(7)4-5(8)11-6/h2-4H,1H3,(H,9,11)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1111 Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3353-8 (1992) BindingDB Entry DOI: 10.7270/Q21Z46N3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515286 (CHEMBL4473248) Show SMILES CCCCc1cc2c(N)nc3cccc(C)c3n2n1 Show InChI InChI=1S/C15H18N4/c1-3-4-7-11-9-13-15(16)17-12-8-5-6-10(2)14(12)19(13)18-11/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515284 (CHEMBL4568083) Show SMILES COCCCc1cnc2c(N)nccn12 Show InChI InChI=1S/C10H14N4O/c1-15-6-2-3-8-7-13-10-9(11)12-4-5-14(8)10/h4-5,7H,2-3,6H2,1H3,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515278 (CHEMBL4547833) Show SMILES CC(C)C#Cc1cnc2c(N)nccn12 Show InChI InChI=1S/C11H12N4/c1-8(2)3-4-9-7-14-11-10(12)13-5-6-15(9)11/h5-8H,1-2H3,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515290 (CHEMBL4550776) Show SMILES CCCCCc1cnc2c(N)nccn12 Show InChI InChI=1S/C11H16N4/c1-2-3-4-5-9-8-14-11-10(12)13-6-7-15(9)11/h6-8H,2-5H2,1H3,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515282 (CHEMBL4470846) Show SMILES Nc1nccn2c(cnc12)C#CCCCO Show InChI InChI=1S/C11H12N4O/c12-10-11-14-8-9(4-2-1-3-7-16)15(11)6-5-13-10/h5-6,8,16H,1,3,7H2,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515281 (CHEMBL4548717) Show SMILES CCCCC#Cc1cnc2c(N)nccn12 Show InChI InChI=1S/C12H14N4/c1-2-3-4-5-6-10-9-15-12-11(13)14-7-8-16(10)12/h7-9H,2-4H2,1H3,(H2,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515289 (CHEMBL4467863) Show SMILES CCCCCCc1ncc2c(N)nc3ccccc3n12 Show InChI InChI=1S/C16H20N4/c1-2-3-4-5-10-15-18-11-14-16(17)19-12-8-6-7-9-13(12)20(14)15/h6-9,11H,2-5,10H2,1H3,(H2,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515292 (CHEMBL4588791) Show SMILES Nc1nccn2c(CCCCCO)cnc12 Show InChI InChI=1S/C11H16N4O/c12-10-11-14-8-9(4-2-1-3-7-16)15(11)6-5-13-10/h5-6,8,16H,1-4,7H2,(H2,12,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515294 (CHEMBL4462769) Show SMILES Nc1nccn2c(cnc12)C#CCCO Show InChI InChI=1S/C10H10N4O/c11-9-10-13-7-8(3-1-2-6-15)14(10)5-4-12-9/h4-5,7,15H,2,6H2,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515279 (CHEMBL4467162) Show SMILES Nc1nccn2c(CCCCO)cnc12 Show InChI InChI=1S/C10H14N4O/c11-9-10-13-7-8(3-1-2-6-15)14(10)5-4-12-9/h4-5,7,15H,1-3,6H2,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Bos taurus)	BDBM50229878 (CHEMBL112904) Show SMILES CNc1nc(Br)cn2cc(nc12)C#N Show InChI InChI=1S/C8H6BrN5/c1-11-7-8-12-5(2-10)3-14(8)4-6(9)13-7/h3-4H,1H3,(H,11,13)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1111 Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3353-8 (1992) BindingDB Entry DOI: 10.7270/Q21Z46N3
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Bos taurus)	BDBM50229880 (CHEMBL116115) Show SMILES CCNc1nc(Br)cn2ccnc12 Show InChI InChI=1S/C8H9BrN4/c1-2-10-7-8-11-3-4-13(8)5-6(9)12-7/h3-5H,2H2,1H3,(H,10,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1111 Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3353-8 (1992) BindingDB Entry DOI: 10.7270/Q21Z46N3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50515295 (CHEMBL4462477) Show SMILES CCCCCCc1cnc2c(N)nccn12 Show InChI InChI=1S/C12H18N4/c1-2-3-4-5-6-10-9-15-12-11(13)14-7-8-16(10)12/h7-9H,2-6H2,1H3,(H2,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-blue cells assessed as inhibition of CL264-induced NFkappaB activation after 24 hrs using qunati-b...				J Med Chem 62: 7015-7031 (2019) Article DOI: 10.1021/acs.jmedchem.9b00411 BindingDB Entry DOI: 10.7270/Q2HX1H1M
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Bos taurus)	BDBM10847 (1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...) Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1111 Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3353-8 (1992) BindingDB Entry DOI: 10.7270/Q21Z46N3
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Bos taurus)	BDBM50229882 (CHEMBL111902) Show SMILES Nc1nc(Br)cn2ccnc12 Show InChI InChI=1S/C6H5BrN4/c7-4-3-11-2-1-9-6(11)5(8)10-4/h1-3H,(H2,8,10)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1111 Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3353-8 (1992) BindingDB Entry DOI: 10.7270/Q21Z46N3
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Bos taurus)	BDBM50229879 (CHEMBL430685) Show SMILES CNc1nccn2c(Br)cnc12 Show InChI InChI=1S/C7H7BrN4/c1-9-6-7-11-4-5(8)12(7)3-2-10-6/h2-4H,1H3,(H,9,10)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.37E+5	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1111 Curated by ChEMBL					Assay Description Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay				J Med Chem 35: 3353-8 (1992) BindingDB Entry DOI: 10.7270/Q21Z46N3
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50241029 (1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quino...) Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50408506 (CHEMBL5272163) Show SMILES CN(C)CCCN1c2cc(Cl)ccc2Sc2ccc(cc12)C(C)=NOC(=O)c1ccccc1 |w:23.26| Show InChI InChI=1S/C26H26ClN3O2S/c1-18(28-32-26(31)19-8-5-4-6-9-19)20-10-12-24-22(16-20)30(15-7-14-29(2)3)23-17-21(27)11-13-25(23)33-24/h4-6,8-13,16-17H,7,14-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50398245 (CHEMBL512901 | CL-075) Show SMILES CCCc1nc2c(N)nc3ccccc3c2s1 Show InChI InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50241029 (1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quino...) Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50608584 (CHEMBL5275885) Show SMILES CCOC(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)C#N |t:5,14| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50608584 (CHEMBL5275885) Show SMILES CCOC(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)C#N |t:5,14| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50241029 (1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quino...) Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O Show InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50559854 (Motolimod | VTX-2337 | VTX-378) Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1ccc(cc1)C(=O)N1CCCC1 |t:9,18| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM50459216 (CHEMBL4213673) Show SMILES CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50608583 (CHEMBL5275095) Show SMILES CCCCc1nc2c(N)nccc2n1Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 8 (Homo sapiens (Human))	BDBM50608584 (CHEMBL5275885) Show SMILES CCOC(=O)C1=Cc2ccc(cc2N=C(N)C1)-c1cccc(c1)C#N |t:5,14| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair