Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'goon' and Initial = 's'   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50070476 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-p...) Show SMILES Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2 |(4.84,-12.94,;6.16,-13.74,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;2.29,-4.79,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C44H22F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-54H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50070473 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-p...) Show SMILES Fc1ccc(c(F)c1)-c1c2ccc(n2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc([nH]2)c(-c2ccc(F)cc2F)c2ccc1n2 |(7.4,-17.63,;7.42,-16.09,;6.12,-15.28,;6.16,-13.74,;7.51,-13.01,;8.82,-13.81,;10.18,-13.08,;8.78,-15.35,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;15.24,-9.15,;16.08,-7.84,;17.62,-7.93,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;8.94,-1.17,;8.94,.37,;7.61,1.14,;7.6,2.68,;6.28,.37,;6.28,-1.17,;4.94,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;,-6.12,;-.79,-7.46,;-2.32,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C44H22F8N4/c45-21-1-5-25(29(49)17-21)41-33-9-11-35(53-33)42(26-6-2-22(46)18-30(26)50)37-13-15-39(55-37)44(28-8-4-24(48)20-32(28)52)40-16-14-38(56-40)43(36-12-10-34(41)54-36)27-7-3-23(47)19-31(27)51/h1-20,53-54H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089503 (2-[7,12,17-tri(2,5-hydroxyphenyl)-21,22,23,24-tetr...) Show SMILES Oc1ccc(O)c(c1)-c1c2ccc(n2)c(-c2cc(O)ccc2O)c2ccc([nH]2)c(-c2cc(O)ccc2O)c2ccc([nH]2)c(-c2cc(O)ccc2O)c2ccc1n2 |(17.29,-25.65,;18.65,-24.91,;19.95,-25.72,;21.31,-24.98,;21.35,-23.43,;22.71,-22.71,;20.04,-22.64,;18.69,-23.36,;20.09,-21.1,;18.76,-20.28,;17.34,-20.88,;16.34,-19.7,;17.15,-18.39,;18.65,-18.76,;16.38,-17.06,;14.84,-17.08,;14.05,-15.75,;12.53,-15.75,;11.74,-14.42,;11.74,-17.08,;12.51,-18.41,;14.07,-18.41,;14.84,-19.74,;17.13,-15.73,;16.38,-14.39,;17.4,-13.25,;18.81,-13.86,;18.65,-15.4,;20.14,-13.09,;20.14,-11.56,;18.81,-10.79,;18.81,-9.25,;17.48,-8.48,;20.14,-8.48,;21.47,-9.25,;21.47,-10.79,;22.81,-11.56,;21.47,-13.86,;22.81,-13.09,;23.92,-14.38,;23.15,-15.72,;21.63,-15.4,;23.99,-17.25,;25.53,-17.33,;26.23,-18.69,;27.77,-18.76,;28.48,-20.14,;28.61,-17.47,;27.9,-16.1,;26.36,-16.03,;25.66,-14.66,;23.15,-18.55,;23.89,-19.9,;22.82,-21.02,;21.44,-20.35,;21.63,-18.83,)| Show InChI InChI=1S/C44H30N4O8/c49-21-1-13-37(53)25(17-21)41-29-5-7-31(45-29)42(26-18-22(50)2-14-38(26)54)33-9-11-35(47-33)44(28-20-24(52)4-16-40(28)56)36-12-10-34(48-36)43(32-8-6-30(41)46-32)27-19-23(51)3-15-39(27)55/h1-20,45-46,49-56H/b41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089504 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,3,5-trifluor...) Show SMILES Fc1cnc(F)c(F)c1-c1c2ccc(n2)c(-c2c(F)cnc(F)c2F)c2ccc([nH]2)c(-c2c(F)cnc(F)c2F)c2ccc([nH]2)c(-c2c(F)cnc(F)c2F)c2ccc1n2 |(10.18,-13.08,;8.82,-13.81,;8.78,-15.35,;7.42,-16.09,;6.12,-15.28,;4.77,-16.03,;6.16,-13.74,;4.84,-12.94,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.83,-6.41,;13.13,-5.05,;15.37,-6.49,;16.08,-7.84,;15.24,-9.15,;15.95,-10.52,;13.7,-9.08,;12.86,-10.38,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;10.27,1.16,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.54,-8.8,;2.31,-10.13,;-.02,-8.8,;-.79,-7.46,;,-6.12,;-.79,-4.79,;1.52,-6.12,;2.29,-4.79,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C40H14F12N8/c41-13-9-53-37(49)33(45)25(13)29-17-1-2-18(57-17)30(26-14(42)10-54-38(50)34(26)46)20-5-6-22(59-20)32(28-16(44)12-56-40(52)36(28)48)24-8-7-23(60-24)31(21-4-3-19(29)58-21)27-15(43)11-55-39(51)35(27)47/h1-12,57-58H/b29-17+,29-19+,30-18+,30-20+,31-21+,31-23+,32-22+,32-24+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089505 (2,7,12,17-tetra(3-fluoro-1-methyl-4-pyridiniumyl)-...) Show SMILES C[n+]1ccc(c(F)c1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2F)c2ccc([nH]2)c(-c2cc[n+](C)cc2F)c2ccc([nH]2)c(-c2cc[n+](C)cc2F)c2ccc1n2 |(6.85,-13.43,;6.87,-11.89,;5.55,-11.09,;5.59,-9.55,;6.94,-8.82,;8.27,-9.62,;9.62,-8.89,;8.23,-11.16,;6.99,-7.29,;8.35,-6.54,;9.74,-7.21,;10.79,-6.09,;10.07,-4.75,;8.55,-5.04,;10.9,-3.46,;12.44,-3.55,;13.14,-4.9,;14.7,-4.97,;15.53,-3.69,;17.07,-3.77,;14.81,-2.33,;13.28,-2.26,;12.57,-.88,;10.07,-1.95,;10.84,-.61,;9.78,.53,;8.39,-.1,;8.55,-1.63,;7.06,.67,;7.06,2.2,;8.39,2.98,;8.39,4.5,;7.06,5.26,;7.03,6.81,;5.72,4.5,;5.72,2.98,;4.38,2.2,;5.72,-.1,;4.31,.52,;3.27,-.62,;4.05,-1.96,;5.55,-1.63,;3.27,-3.27,;1.74,-3.3,;.97,-1.97,;-.58,-1.97,;-1.36,-3.3,;-2.88,-3.3,;-.58,-4.61,;.97,-4.61,;1.74,-5.95,;4.05,-4.59,;3.25,-5.9,;4.24,-7.08,;5.69,-6.49,;5.55,-4.97,)| Show InChI InChI=1S/C44H33F4N8/c1-53-17-13-25(29(45)21-53)41-33-5-7-35(49-33)42(26-14-18-54(2)22-30(26)46)37-9-11-39(51-37)44(28-16-20-56(4)24-32(28)48)40-12-10-38(52-40)43(36-8-6-34(41)50-36)27-15-19-55(3)23-31(27)47/h5-24H,1-4H3,(H,49,50,51,52)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089507 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(3-fluoro-pyrid...) Show SMILES Fc1cnccc1-c1c2ccc(n2)c(-c2ccncc2F)c2ccc([nH]2)c(-c2ccncc2F)c2ccc([nH]2)c(-c2ccncc2F)c2ccc1n2 |(10.18,-13.08,;8.82,-13.81,;8.78,-15.35,;7.42,-16.09,;6.12,-15.28,;6.16,-13.74,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;8.94,-1.17,;8.94,.37,;7.61,1.14,;6.28,.37,;6.28,-1.17,;4.94,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C40H22F4N8/c41-25-17-45-13-9-21(25)37-29-1-2-30(49-29)38(22-10-14-46-18-26(22)42)32-5-6-34(51-32)40(24-12-16-48-20-28(24)44)36-8-7-35(52-36)39(33-4-3-31(37)50-33)23-11-15-47-19-27(23)43/h1-20,49-50H/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089502 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,3,5,6-tetraf...) Show SMILES Fc1nc(F)c(F)c(c1F)-c1c2ccc(n2)c(-c2c(F)c(F)nc(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)nc(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)nc(F)c2F)c2ccc1n2 |(4.77,-16.03,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;10.1,-16.16,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;6.16,-13.74,;4.84,-12.94,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;15.95,-10.52,;16.08,-7.84,;15.37,-6.49,;16.19,-5.2,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;4.95,1.13,;7.61,1.14,;8.94,.37,;10.27,1.16,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.54,-8.8,;2.31,-10.13,;-.02,-8.8,;-.79,-10.13,;-.79,-7.46,;,-6.12,;-.79,-4.79,;1.52,-6.12,;2.29,-4.79,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C40H10F16N8/c41-25-21(26(42)34(50)61-33(25)49)17-9-1-2-10(57-9)18(22-27(43)35(51)62-36(52)28(22)44)12-5-6-14(59-12)20(24-31(47)39(55)64-40(56)32(24)48)16-8-7-15(60-16)19(13-4-3-11(17)58-13)23-29(45)37(53)63-38(54)30(23)46/h1-8,57-58H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089510 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(3-fluoro-pheny...) Show SMILES Fc1cccc(c1)-c1c2ccc(n2)c(-c2cccc(F)c2)c2ccc([nH]2)c(-c2cccc(F)c2)c2ccc([nH]2)c(-c2cccc(F)c2)c2ccc1n2 Show InChI InChI=1S/C44H26F4N4/c45-29-9-1-5-25(21-29)41-33-13-15-35(49-33)42(26-6-2-10-30(46)22-26)37-17-19-39(51-37)44(28-8-4-12-32(48)24-28)40-20-18-38(52-40)43(36-16-14-34(41)50-36)27-7-3-11-31(47)23-27/h1-24,49-50H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50070472 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-pentafluorophen...) Show SMILES Fc1c(F)c(F)c(c(F)c1F)-c1c2ccc(n2)c(-c2c(F)c(F)c(F)c(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)c(F)c(F)c2F)c2ccc([nH]2)c(-c2c(F)c(F)c(F)c(F)c2F)c2ccc1n2 |(7.89,-28.76,;7.93,-27.22,;9.28,-26.48,;10.6,-27.29,;9.31,-24.94,;10.67,-24.21,;8.01,-24.14,;6.65,-24.87,;5.34,-24.05,;6.61,-26.41,;5.27,-27.15,;8.05,-22.6,;6.74,-21.79,;5.3,-22.37,;4.31,-21.21,;5.12,-19.9,;6.61,-20.25,;4.35,-18.57,;2.81,-18.57,;2.04,-19.92,;2.81,-21.25,;.49,-19.92,;-.28,-21.25,;-.28,-18.59,;-1.82,-18.59,;.5,-17.24,;-.28,-15.91,;2.03,-17.24,;2.78,-15.91,;5.11,-17.23,;4.35,-15.89,;5.37,-14.75,;6.77,-15.38,;6.61,-16.92,;8.1,-14.61,;8.1,-13.07,;9.45,-12.3,;10.78,-13.07,;9.45,-10.75,;10.77,-9.97,;8.1,-9.98,;8.1,-8.44,;6.77,-10.75,;5.44,-9.99,;6.77,-12.3,;5.44,-13.07,;9.45,-15.38,;10.85,-14.75,;11.88,-15.89,;11.11,-17.22,;9.61,-16.91,;11.95,-18.76,;13.49,-18.83,;14.19,-20.2,;13.36,-21.5,;15.74,-20.27,;16.45,-21.64,;16.57,-18.97,;18.11,-19.05,;15.87,-17.62,;16.7,-16.33,;14.33,-17.54,;13.63,-16.17,;11.11,-20.04,;11.86,-21.39,;10.78,-22.51,;9.41,-21.86,;9.61,-20.32,)| Show InChI InChI=1S/C44H10F20N4/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50/h1-8,65-66H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089509 (2-[7,12,17-tri(2-hydroxyphenyl)-21,22,23,24-tetraa...) Show SMILES Oc1ccccc1-c1c2ccc(n2)c(-c2ccccc2O)c2ccc([nH]2)c(-c2ccccc2O)c2ccc([nH]2)c(-c2ccccc2O)c2ccc1n2 |(22.71,-22.71,;21.35,-23.43,;21.31,-24.98,;19.95,-25.72,;18.65,-24.91,;18.69,-23.36,;20.04,-22.64,;20.09,-21.1,;21.44,-20.35,;22.82,-21.02,;23.89,-19.9,;23.15,-18.55,;21.63,-18.83,;23.99,-17.25,;25.53,-17.33,;26.23,-18.69,;27.77,-18.76,;28.61,-17.47,;27.9,-16.1,;26.36,-16.03,;25.66,-14.66,;23.15,-15.72,;23.92,-14.38,;22.81,-13.09,;21.47,-13.86,;21.63,-15.4,;20.14,-13.09,;20.14,-11.56,;18.81,-10.79,;18.81,-9.25,;20.14,-8.48,;21.47,-9.25,;21.47,-10.79,;22.81,-11.56,;18.81,-13.86,;17.4,-13.25,;16.38,-14.39,;17.13,-15.73,;18.65,-15.4,;16.38,-17.06,;14.84,-17.08,;14.05,-15.75,;12.53,-15.75,;11.74,-17.08,;12.51,-18.41,;14.07,-18.41,;14.84,-19.74,;17.15,-18.39,;16.34,-19.7,;17.34,-20.88,;18.76,-20.28,;18.65,-18.76,)| Show InChI InChI=1S/C44H30N4O4/c49-37-13-5-1-9-25(37)41-29-17-19-31(45-29)42(26-10-2-6-14-38(26)50)33-21-23-35(47-33)44(28-12-4-8-16-40(28)52)36-24-22-34(48-36)43(32-20-18-30(41)46-32)27-11-3-7-15-39(27)51/h1-24,45-46,49-52H/b41-29-,41-30-,42-31-,42-33-,43-32-,43-34-,44-35-,44-36-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089508 (2-[7,12,17-tri(3-hydroxyphenyl)-21,22,23,24-tetraa...) Show SMILES Oc1cccc(c1)-c1c2ccc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc1n2 Show InChI InChI=1S/C44H30N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-24,45-46,49-52H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50089506 ((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2-fluoro-pheny...) Show SMILES Fc1ccccc1-c1c2ccc(n2)c(-c2ccccc2F)c2ccc([nH]2)c(-c2ccccc2F)c2ccc([nH]2)c(-c2ccccc2F)c2ccc1n2 |(16.72,-24.42,;15.37,-25.15,;15.33,-26.69,;13.98,-27.43,;12.66,-26.62,;12.7,-25.08,;14.05,-24.35,;14.1,-22.81,;15.45,-22.07,;16.84,-22.72,;17.9,-21.61,;17.17,-20.25,;15.66,-20.53,;18.01,-18.97,;19.55,-19.04,;20.24,-20.42,;21.79,-20.49,;22.62,-19.18,;21.91,-17.83,;20.37,-17.75,;19.67,-16.38,;17.17,-17.43,;17.94,-16.1,;16.89,-14.96,;15.49,-15.59,;15.66,-17.12,;14.16,-14.82,;14.16,-13.28,;12.83,-12.51,;12.83,-10.96,;14.16,-10.19,;15.49,-10.96,;15.49,-12.51,;16.82,-13.28,;12.83,-15.59,;11.41,-14.96,;10.39,-16.1,;11.16,-17.45,;12.66,-17.13,;10.39,-18.78,;8.85,-18.78,;8.08,-17.45,;6.54,-17.45,;5.77,-18.8,;6.54,-20.14,;8.08,-20.14,;8.85,-21.47,;11.16,-20.11,;10.36,-21.42,;11.36,-22.58,;12.79,-22,;12.66,-20.46,)| Show InChI InChI=1S/C44H26F4N4/c45-29-13-5-1-9-25(29)41-33-17-19-35(49-33)42(26-10-2-6-14-30(26)46)37-21-23-39(51-37)44(28-12-4-8-16-32(28)48)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-11-3-7-15-31(27)47/h1-24,49-50H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot				Bioorg Med Chem Lett 10: 1435-8 (2000) BindingDB Entry DOI: 10.7270/Q20K27SF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50185219 ((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(quinu...) Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1 |wU:20.21,TLB:19:20:24.23:26.27,(4.27,-32.71,;5.6,-33.48,;5.6,-35.02,;6.93,-35.79,;8.27,-35.03,;9.61,-35.79,;10.95,-35.01,;12.28,-35.78,;10.94,-33.46,;12.27,-32.69,;13.68,-33.32,;14.7,-32.18,;16.24,-32.18,;17.02,-30.84,;16.23,-29.5,;14.69,-29.51,;13.93,-30.84,;12.43,-31.16,;9.59,-32.69,;9.59,-31.15,;8.64,-29.94,;8.36,-28.54,;7.01,-27.94,;5.55,-28.58,;5.74,-29.96,;7.27,-29.3,;7.53,-27.41,;7.08,-26.31,;8.26,-33.47,;6.93,-32.71,)| Show InChI InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB 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: 10.1016/j.ejmech.2022.114304 BindingDB Entry DOI: 10.7270/Q25B06GC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004707 (CHEMBL2269035) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc1c(F)ccc2cccnc12 Show InChI InChI=1S/C16H13FN6O2S/c1-9-8-10(2)23-15(19-9)20-16(21-23)26(24,25)22-14-12(17)6-5-11-4-3-7-18-13(11)14/h3-8,22H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004746 (CHEMBL2269037) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc1c(Br)ccc2cccnc12 Show InChI InChI=1S/C16H13BrN6O2S/c1-9-8-10(2)23-15(19-9)20-16(21-23)26(24,25)22-14-12(17)6-5-11-4-3-7-18-13(11)14/h3-8,22H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004747 (CHEMBL2269036) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc1c(Cl)ccc2cccnc12 Show InChI InChI=1S/C16H13ClN6O2S/c1-9-8-10(2)23-15(19-9)20-16(21-23)26(24,25)22-14-12(17)6-5-11-4-3-7-18-13(11)14/h3-8,22H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004706 (CHEMBL2269029) Show SMILES Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(F)ccc2cccnc12 Show InChI InChI=1S/C15H11FN6O2S/c1-9-6-8-22-14(18-9)19-15(20-22)25(23,24)21-13-11(16)5-4-10-3-2-7-17-12(10)13/h2-8,21H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004709 (CHEMBL2269031) Show SMILES Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(Br)ccc2cccnc12 Show InChI InChI=1S/C15H11BrN6O2S/c1-9-6-8-22-14(18-9)19-15(20-22)25(23,24)21-13-11(16)5-4-10-3-2-7-17-12(10)13/h2-8,21H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467770 (CHEMBL4279467) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCNCC1 Show InChI InChI=1S/C22H34N6O2/c1-26(2)22-24-18-16-20(30-14-6-11-27-9-4-5-10-27)19(29-3)15-17(18)21(25-22)28-12-7-23-8-13-28/h15-16,23H,4-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467784 (CHEMBL4278635) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H38N6O3/c1-32(2)29-30-24-21-26(38-19-9-14-33-12-7-8-13-33)25(37-3)20-23(24)27(31-29)34-15-17-35(18-16-34)28(36)22-10-5-4-6-11-22/h4-6,10-11,20-21H,7-9,12-19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467766 (CHEMBL4276673) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C27H42N6O2/c1-30(2)27-28-23-20-25(35-18-8-13-31-11-6-7-12-31)24(34-3)19-22(23)26(29-27)33-16-14-32(15-17-33)21-9-4-5-10-21/h19-21H,4-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467773 (CHEMBL4282131) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N1CCN(C)CC1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C30H47N7O2/c1-33-13-15-37(16-14-33)30-31-26-23-28(39-21-7-12-34-10-5-6-11-34)27(38-2)22-25(26)29(32-30)36-19-17-35(18-20-36)24-8-3-4-9-24/h22-24H,3-21H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50510239 (CHEMBL4454135) Show SMILES COc1ccc(cc1)-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1 Show InChI InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114304 BindingDB Entry DOI: 10.7270/Q25B06GC
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467774 (CHEMBL4286933) Show SMILES COc1cc2c(nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1)N1CCN(C)CC1 Show InChI InChI=1S/C29H48N8O2/c1-33-13-17-36(18-14-33)11-6-8-30-29-31-25-23-27(39-21-7-12-35-9-4-5-10-35)26(38-3)22-24(25)28(32-29)37-19-15-34(2)16-20-37/h22-23H,4-21H2,1-3H3,(H,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467782 (CHEMBL4279648) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H37FN6O3/c1-33(2)29-31-24-20-26(39-18-6-13-34-11-4-5-12-34)25(38-3)19-23(24)27(32-29)35-14-16-36(17-15-35)28(37)21-7-9-22(30)10-8-21/h7-10,19-20H,4-6,11-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467786 (CHEMBL4281194) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C28H44N6O2/c1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22/h19-20,22H,4-18,21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467775 (CHEMBL4278682) Show SMILES COc1cc2c(nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C33H54N8O2/c1-37-16-18-39(19-17-37)14-7-11-34-33-35-29-26-31(43-24-8-15-38-12-5-6-13-38)30(42-2)25-28(29)32(36-33)41-22-20-40(21-23-41)27-9-3-4-10-27/h25-27H,3-24H2,1-2H3,(H,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467794 (CHEMBL4290314) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(CN)cc1 Show InChI InChI=1S/C30H41N7O3/c1-34(2)30-32-25-20-27(40-18-6-13-35-11-4-5-12-35)26(39-3)19-24(25)28(33-30)36-14-16-37(17-15-36)29(38)23-9-7-22(21-31)8-10-23/h7-10,19-20H,4-6,11-18,21,31H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004719 (CHEMBL2269024) Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C16H14N6O2S/c1-10-9-11(2)22-15(18-10)19-16(20-22)25(23,24)21-13-7-3-5-12-6-4-8-17-14(12)13/h3-9,21H,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004708 (FLUMETSULAM) Show SMILES Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(F)cccc1F Show InChI InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004712 (CHEMBL2269030) Show SMILES Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(Cl)ccc2cccnc12 Show InChI InChI=1S/C15H11ClN6O2S/c1-9-6-8-22-14(18-9)19-15(20-22)25(23,24)21-13-11(16)5-4-10-3-2-7-17-12(10)13/h2-8,21H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467787 (CHEMBL4284607) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C23H36N6O2/c1-26(2)23-24-19-17-21(31-15-7-10-28-8-5-6-9-28)20(30-4)16-18(19)22(25-23)29-13-11-27(3)12-14-29/h16-17H,5-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467772 (CHEMBL4284496) Show SMILES COc1cc2c(nc(NCc3ccc(F)cc3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C32H43FN6O2/c1-40-29-21-27-28(22-30(29)41-20-6-15-37-13-4-5-14-37)35-32(34-23-24-9-11-25(33)12-10-24)36-31(27)39-18-16-38(17-19-39)26-7-2-3-8-26/h9-12,21-22,26H,2-8,13-20,23H2,1H3,(H,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467796 (CHEMBL4285558) Show SMILES COc1cc2c(nc(NCCCn3ccnc3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C31H46N8O2/c1-40-28-22-26-27(23-29(28)41-21-7-15-36-12-4-5-13-36)34-31(33-10-6-14-37-16-11-32-24-37)35-30(26)39-19-17-38(18-20-39)25-8-2-3-9-25/h11,16,22-25H,2-10,12-15,17-21H2,1H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467778 (CHEMBL4280997) Show SMILES COc1cc2c(nc(nc2cc1OC1CCCC1)N(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C21H31N5O2/c1-24(2)21-22-17-14-19(28-15-7-5-6-8-15)18(27-4)13-16(17)20(23-21)26-11-9-25(3)10-12-26/h13-15H,5-12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Acetolactate synthase 2, chloroplastic (Nicotiana tabacum)	BDBM50004717 (CHEMBL2269025) Show SMILES Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(ccc2cccnc12)C#N Show InChI InChI=1S/C16H11N7O2S/c1-10-6-8-23-15(19-10)20-16(21-23)26(24,25)22-14-12(9-17)5-4-11-3-2-7-18-13(11)14/h2-8,22H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Seoul Women's University Curated by ChEMBL					Assay Description Inhibition of wild type Nicotiana tabacum (tobacco) GST-tagged acetolactate synthase expressed in Escherichia coli by modified Westerfeld method				Biochem Biophys Res Commun 258: 797-801 (1999) Article DOI: 10.1006/bbrc.1999.0708 BindingDB Entry DOI: 10.7270/Q2CR5VV2
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467771 (CHEMBL4291815) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C29H40N6O2/c1-32(2)29-30-25-21-27(37-19-9-14-33-12-7-8-13-33)26(36-3)20-24(25)28(31-29)35-17-15-34(16-18-35)22-23-10-5-4-6-11-23/h4-6,10-11,20-21H,7-9,12-19,22H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467789 (CHEMBL4287813) Show SMILES COc1cc2c(nc(nc2cc1OC1CCCC1)N(C)C)N1CCNCC1 Show InChI InChI=1S/C20H29N5O2/c1-24(2)20-22-16-13-18(27-14-6-4-5-7-14)17(26-3)12-15(16)19(23-20)25-10-8-21-9-11-25/h12-14,21H,4-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467785 (CHEMBL4283550) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)C(C)C Show InChI InChI=1S/C26H40N6O3/c1-19(2)25(33)32-14-12-31(13-15-32)24-20-17-22(34-5)23(18-21(20)27-26(28-24)29(3)4)35-16-8-11-30-9-6-7-10-30/h17-19H,6-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia 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
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467777 (CHEMBL4290193) Show SMILES COc1cc2c(nc(nc2cc1OCc1ccccc1)N(C)C)N1CCNCC1 Show InChI InChI=1S/C22H27N5O2/c1-26(2)22-24-18-14-20(29-15-16-7-5-4-6-8-16)19(28-3)13-17(18)21(25-22)27-11-9-23-10-12-27/h4-8,13-14,23H,9-12,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467795 (CHEMBL4290016) Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C25H37N5O2/c1-31-23-17-21-22(18-24(23)32-16-6-11-28-9-4-5-10-28)26-19-27-25(21)30-14-12-29(13-15-30)20-7-2-3-8-20/h17-20H,2-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467765 (CHEMBL4287984) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)S(=O)(=O)C(C)C Show InChI InChI=1S/C25H40N6O4S/c1-19(2)36(32,33)31-14-12-30(13-15-31)24-20-17-22(34-5)23(18-21(20)26-25(27-24)28(3)4)35-16-8-11-29-9-6-7-10-29/h17-19H,6-16H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467768 (CHEMBL4284406) Show SMILES COc1cc2c(nc(nc2cc1OCc1ccccc1)N(C)C)N1CCN(C)CC1 Show InChI InChI=1S/C23H29N5O2/c1-26(2)23-24-19-15-21(30-16-17-8-6-5-7-9-17)20(29-4)14-18(19)22(25-23)28-12-10-27(3)11-13-28/h5-9,14-15H,10-13,16H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50568549 (CHEMBL4853223) Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2nc3ccc(OCCCN4CC[C@H](C4)N(C)C)cc3o2)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50568548 (CHEMBL4878190) Show SMILES C(CNCc1ccc(CN2CCOCC2)cc1)COc1nc2ccc(OCCCNCc3ccc(CN4CCOCC4)cc3)cc2o1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50467779 (CHEMBL4291391) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C28H42N6O3/c1-31(2)28-29-23-20-25(37-18-8-13-32-11-6-7-12-32)24(36-3)19-22(23)26(30-28)33-14-16-34(17-15-33)27(35)21-9-4-5-10-21/h19-21H,4-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50568550 (CHEMBL4855190) Show SMILES CN(C)CCN(C)CCCOc1ccc(cc1)-c1nc2ccc(OCCCN(C)CCN(C)C)cc2o1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50467786 (CHEMBL4281194) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C28H44N6O2/c1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22/h19-20,22H,4-18,21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as reduction in CL264-induced NF-kappaB levels after 24 hrs by spectrophotomet...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Toll-like receptor 7 (Homo sapiens (Human))	BDBM50467786 (CHEMBL4281194) Show SMILES COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC2CCCC2)CC1 Show InChI InChI=1S/C28H44N6O2/c1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22/h19-20,22H,4-18,21H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at TLR7 (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112978 BindingDB Entry DOI: 10.7270/Q2W95DZ6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 151 total )  |  Next  |  Last  >>

Jump to: