Compile Data Set for Download or QSAR

Found 174 hits for UniProtKB: P08263   

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
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50054198 (CHEMBL3310888) Show SMILES Oc1ccccc1C(=O)c1cc(Br)ccc1O Show InChI InChI=1S/C13H9BrO3/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph				Bioorg Med Chem 22: 3957-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.007 BindingDB Entry DOI: 10.7270/Q28P625B
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50054196 (CHEMBL3310887) Show SMILES [#8]-c1ccccc1\[#6](=[#7]\[#7]-[#6](=O)-c1ccccc1)-c1ccccc1-[#8] Show InChI InChI=1S/C20H16N2O3/c23-17-12-6-4-10-15(17)19(16-11-5-7-13-18(16)24)21-22-20(25)14-8-2-1-3-9-14/h1-13,23-24H,(H,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph				Bioorg Med Chem 22: 3957-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.007 BindingDB Entry DOI: 10.7270/Q28P625B
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50043758 (2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-hexylsulf...) Show SMILES CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O Show InChI InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione-S-transferase A1 enzyme				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50054194 (CHEMBL3310886) Show SMILES Oc1ccccc1C(=O)c1cc(ccc1O)-c1ccccc1 Show InChI InChI=1S/C19H14O3/c20-17-9-5-4-8-15(17)19(22)16-12-14(10-11-18(16)21)13-6-2-1-3-7-13/h1-12,20-21H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph				Bioorg Med Chem 22: 3957-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.007 BindingDB Entry DOI: 10.7270/Q28P625B
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50295556 (C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-G...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:102.110,82.92,53.61,34.35,8.12,wD:93.101,74.81,62.69,39.52,30.31,16.23,4.4,(58.32,-8.81,;56.96,-8.06,;56.94,-6.52,;55.58,-5.78,;55.55,-4.23,;54.21,-3.5,;52.89,-4.29,;52.92,-5.83,;51.54,-3.55,;51.51,-2.01,;52.83,-1.21,;52.8,.33,;54.17,-1.95,;50.22,-4.34,;48.87,-3.6,;48.85,-2.06,;47.55,-4.39,;47.58,-5.94,;48.93,-6.68,;50.33,-6.03,;51.38,-7.15,;50.63,-8.5,;49.12,-8.2,;46.21,-3.65,;44.89,-4.45,;44.92,-5.98,;43.54,-3.7,;42.22,-4.49,;40.87,-3.75,;40.84,-2.21,;39.55,-4.55,;38.21,-3.81,;36.89,-4.6,;36.92,-6.13,;35.53,-3.85,;35.51,-2.32,;34.22,-4.65,;32.87,-3.91,;32.84,-2.36,;31.55,-4.7,;31.58,-6.24,;32.93,-6.99,;34.32,-6.33,;35.38,-7.46,;34.64,-8.8,;35.13,-10.26,;34.13,-11.42,;32.62,-11.13,;32.11,-9.68,;33.12,-8.52,;30.21,-3.96,;28.89,-4.75,;28.92,-6.29,;27.54,-4.01,;27.51,-2.47,;28.83,-1.68,;28.8,-.13,;27.45,.6,;30.11,.66,;26.22,-4.8,;24.87,-4.07,;24.84,-2.52,;23.55,-4.86,;23.59,-6.4,;24.93,-7.14,;26.25,-6.35,;24.96,-8.68,;22.21,-4.11,;20.89,-4.91,;20.91,-6.45,;19.53,-4.16,;18.22,-4.95,;16.87,-4.22,;16.84,-2.67,;15.56,-5.01,;15.59,-6.55,;16.93,-7.29,;16.96,-8.83,;18.25,-6.5,;14.21,-4.27,;12.9,-5.06,;12.93,-6.59,;11.55,-4.31,;11.52,-2.78,;12.84,-1.97,;12.8,-.44,;14.12,.36,;14.08,1.89,;12.74,2.64,;15.4,2.69,;10.22,-5.11,;8.88,-4.37,;8.85,-2.82,;7.55,-5.16,;7.59,-6.7,;8.94,-7.45,;8.97,-8.98,;7.64,-9.78,;10.32,-9.73,;6.21,-4.42,;4.89,-5.21,;4.92,-6.76,;3.54,-4.48,;3.5,-2.93,;4.83,-2.14,;4.81,-.59,;3.45,.15,;6.11,.2,;2.23,-5.26,;.88,-4.52,;1.96,-3.43,;.1,-3.19,;-.19,-5.62,;-1.68,-5.24,;-2.75,-6.34,;-2.34,-7.82,;-.84,-8.2,;.23,-7.1,;39.58,-6.09,;40.93,-6.83,;38.27,-6.88,;56.87,-3.44,;58.23,-4.19,;56.84,-1.9,)| Show InChI InChI=1S/C77H116N24O21S2/c1-39(2)29-53(97-68(112)49(19-14-27-85-77(82)83)94-69(113)50(20-23-58(78)102)95-71(115)52(22-25-63(107)108)101-124(121,122)45-15-10-9-11-16-45)67(111)87-36-61(105)92-57(33-60(80)104)75(119)96-51(21-24-59(79)103)70(114)99-55(31-43-34-86-47-18-13-12-17-46(43)47)72(116)90-42(7)66(110)100-64(41(5)6)76(120)88-37-62(106)91-56(32-44-35-84-38-89-44)74(118)98-54(30-40(3)4)73(117)93-48(65(81)109)26-28-123-8/h9-13,15-18,34-35,38-42,48-57,64,86,101H,14,19-33,36-37H2,1-8H3,(H2,78,102)(H2,79,103)(H2,80,104)(H2,81,109)(H,84,89)(H,87,111)(H,88,120)(H,90,116)(H,91,106)(H,92,105)(H,93,117)(H,94,113)(H,95,115)(H,96,119)(H,97,112)(H,98,118)(H,99,114)(H,100,110)(H,107,108)(H4,82,83,85)/t42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by 1-chloro-2,4-dinitrobenzene competitive assay				Eur J Med Chem 44: 2009-16 (2009) Article DOI: 10.1016/j.ejmech.2008.10.009 BindingDB Entry DOI: 10.7270/Q2S182J4
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50295554 (C6H5-SO2-Glu-Gln-Ser-Leu-Gly-Asn-Gln-Trp-Ala-Arg-G...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(N)=O |r,wU:107.116,92.98,63.72,44.46,8.16,wD:98.107,84.92,72.80,49.63,33.42,19.27,4.4,(53.04,-39.54,;51.71,-38.78,;51.72,-37.23,;50.38,-36.46,;50.38,-34.92,;49.04,-34.15,;47.72,-34.92,;47.71,-36.46,;46.38,-34.15,;46.38,-32.6,;47.72,-31.84,;49.05,-32.61,;50.38,-31.84,;50.39,-30.3,;49.05,-29.53,;47.72,-30.29,;45.04,-34.91,;43.71,-34.15,;43.71,-32.6,;42.38,-34.91,;42.38,-36.46,;43.71,-37.22,;45.12,-36.6,;46.15,-37.74,;45.37,-39.08,;43.87,-38.75,;41.04,-34.14,;39.71,-34.91,;39.71,-36.45,;38.37,-34.14,;37.04,-34.9,;35.71,-34.14,;35.71,-32.59,;34.37,-34.9,;34.37,-36.45,;35.71,-37.21,;35.71,-38.76,;37.04,-39.53,;37.04,-41.07,;35.7,-41.84,;38.37,-41.84,;33.04,-34.14,;31.71,-34.9,;31.71,-36.45,;30.37,-34.14,;30.37,-32.59,;29.04,-34.9,;27.71,-34.13,;27.71,-32.59,;26.37,-34.9,;26.37,-36.44,;27.71,-37.21,;29.11,-36.58,;30.14,-37.73,;29.37,-39.07,;29.84,-40.53,;28.81,-41.67,;27.31,-41.35,;26.83,-39.89,;27.87,-38.74,;25.04,-34.13,;23.7,-34.89,;23.7,-36.44,;22.37,-34.13,;22.37,-32.59,;23.71,-31.82,;23.71,-30.27,;22.37,-29.51,;25.04,-29.51,;21.03,-34.89,;19.7,-34.13,;19.71,-32.58,;18.37,-34.89,;18.37,-36.44,;19.7,-37.2,;21.03,-36.44,;19.7,-38.75,;17.04,-34.12,;15.7,-34.89,;15.7,-36.43,;14.36,-34.12,;13.03,-34.89,;11.7,-34.12,;11.7,-32.58,;10.36,-34.88,;10.36,-36.43,;11.7,-37.19,;11.7,-38.74,;13.03,-36.43,;9.04,-34.12,;7.7,-34.88,;7.7,-36.43,;6.36,-34.12,;6.36,-32.58,;7.7,-31.81,;5.03,-34.89,;3.7,-34.11,;3.7,-32.58,;2.36,-34.88,;2.36,-36.42,;3.7,-37.19,;3.69,-38.74,;2.36,-39.51,;5.03,-39.5,;1.03,-34.11,;-.31,-34.88,;-.31,-36.42,;-1.64,-34.11,;-1.64,-32.57,;-.3,-31.8,;-.3,-30.26,;-1.64,-29.49,;1.03,-29.5,;-2.97,-34.87,;-4.29,-34.11,;-3.21,-33.01,;-5.07,-32.77,;-5.37,-35.2,;-6.85,-34.82,;-7.93,-35.91,;-7.52,-37.39,;-6.02,-37.77,;-4.95,-36.68,;51.71,-34.15,;53.05,-34.92,;51.71,-32.61,)| Show InChI InChI=1S/C78H110N24O22S2/c1-41(2)30-54(98-77(122)59(39-103)101-71(116)52(22-25-61(80)105)96-72(117)53(23-26-65(109)110)102-126(123,124)46-16-9-6-10-17-46)69(114)89-38-64(108)93-58(34-62(81)106)76(121)97-51(21-24-60(79)104)70(115)100-56(32-44-35-87-48-19-12-11-18-47(44)48)73(118)91-42(3)67(112)95-50(20-13-28-86-78(83)84)68(113)88-37-63(107)92-57(33-45-36-85-40-90-45)75(120)99-55(31-43-14-7-5-8-15-43)74(119)94-49(66(82)111)27-29-125-4/h5-12,14-19,35-36,40-42,49-59,87,102-103H,13,20-34,37-39H2,1-4H3,(H2,79,104)(H2,80,105)(H2,81,106)(H2,82,111)(H,85,90)(H,88,113)(H,89,114)(H,91,118)(H,92,107)(H,93,108)(H,94,119)(H,95,112)(H,96,117)(H,97,121)(H,98,122)(H,99,120)(H,100,115)(H,101,116)(H,109,110)(H4,83,84,86)/t42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by 1-chloro-2,4-dinitrobenzene competitive assay				Eur J Med Chem 44: 2009-16 (2009) Article DOI: 10.1016/j.ejmech.2008.10.009 BindingDB Entry DOI: 10.7270/Q2S182J4
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50295555 (C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-G...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:105.114,85.96,56.65,37.39,8.16,wD:96.105,77.85,65.73,42.56,33.35,19.27,4.4,(57.23,-24.89,;55.88,-24.13,;55.87,-22.59,;54.53,-21.83,;54.52,-20.28,;53.18,-19.53,;51.85,-20.31,;51.86,-21.85,;50.51,-19.56,;50.5,-18.01,;51.83,-17.23,;53.16,-17.99,;54.49,-17.21,;54.48,-15.67,;53.14,-14.91,;51.81,-15.69,;49.18,-20.33,;47.84,-19.58,;47.83,-18.04,;46.52,-20.36,;46.53,-21.9,;47.87,-22.65,;49.27,-22.02,;50.31,-23.15,;49.55,-24.5,;48.04,-24.18,;45.18,-19.6,;43.85,-20.38,;43.86,-21.92,;42.51,-19.62,;41.18,-20.4,;39.84,-19.65,;39.83,-18.1,;38.51,-20.42,;37.18,-19.67,;35.85,-20.45,;35.86,-21.98,;34.5,-19.69,;34.49,-18.15,;33.18,-20.47,;31.84,-19.71,;31.83,-18.17,;30.51,-20.49,;30.52,-22.03,;31.87,-22.79,;33.27,-22.15,;34.31,-23.29,;33.55,-24.62,;34.03,-26.09,;33.02,-27.24,;31.51,-26.93,;31.02,-25.48,;32.04,-24.32,;29.18,-19.73,;27.85,-20.51,;27.86,-22.06,;26.5,-19.76,;26.49,-18.22,;27.82,-17.44,;27.81,-15.89,;26.47,-15.14,;29.13,-15.12,;25.18,-20.54,;23.84,-19.78,;23.83,-18.24,;22.51,-20.56,;22.53,-22.1,;23.86,-22.86,;25.19,-22.08,;23.88,-24.4,;21.17,-19.8,;19.85,-20.58,;19.86,-22.12,;18.5,-19.83,;17.18,-20.6,;15.84,-19.85,;15.83,-18.3,;14.51,-20.63,;14.52,-22.17,;15.87,-22.92,;15.88,-24.46,;17.19,-22.14,;13.18,-19.87,;11.86,-20.65,;11.87,-22.18,;10.51,-19.89,;10.5,-18.35,;11.84,-17.58,;11.81,-16.03,;13.13,-15.26,;13.13,-13.71,;11.78,-12.96,;14.45,-12.94,;9.18,-20.67,;7.85,-19.93,;7.83,-18.38,;6.51,-20.69,;6.53,-22.23,;7.87,-22.99,;7.88,-24.53,;6.55,-25.31,;9.23,-25.29,;5.18,-19.94,;3.85,-20.73,;3.86,-22.26,;2.5,-19.96,;2.49,-18.43,;3.82,-17.63,;3.81,-16.09,;2.46,-15.34,;5.13,-15.32,;1.18,-20.74,;-.16,-19.99,;.6,-18.66,;-.94,-18.66,;-1.02,-21.26,;-2.55,-21.14,;-3.41,-22.41,;-2.75,-23.79,;-1.21,-23.9,;-.35,-22.64,;38.52,-21.97,;39.87,-22.72,;37.2,-22.74,;55.84,-19.51,;57.19,-20.27,;55.83,-17.96,)| Show InChI InChI=1S/C80H114N24O21S2/c1-42(2)32-56(100-71(115)52(22-15-30-88-80(85)86)97-72(116)53(23-26-61(81)105)98-74(118)55(25-28-66(110)111)104-127(124,125)48-18-11-8-12-19-48)70(114)90-39-64(108)95-60(36-63(83)107)78(122)99-54(24-27-62(82)106)73(117)102-58(34-46-37-89-50-21-14-13-20-49(46)50)75(119)93-44(5)69(113)103-67(43(3)4)79(123)91-40-65(109)94-59(35-47-38-87-41-92-47)77(121)101-57(33-45-16-9-7-10-17-45)76(120)96-51(68(84)112)29-31-126-6/h7-14,16-21,37-38,41-44,51-60,67,89,104H,15,22-36,39-40H2,1-6H3,(H2,81,105)(H2,82,106)(H2,83,107)(H2,84,112)(H,87,92)(H,90,114)(H,91,123)(H,93,119)(H,94,109)(H,95,108)(H,96,120)(H,97,116)(H,98,118)(H,99,122)(H,100,115)(H,101,121)(H,102,117)(H,103,113)(H,110,111)(H4,85,86,88)/t44-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by 1-chloro-2,4-dinitrobenzene competitive assay				Eur J Med Chem 44: 2009-16 (2009) Article DOI: 10.1016/j.ejmech.2008.10.009 BindingDB Entry DOI: 10.7270/Q2S182J4
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50054205 (CHEMBL3310889) Show SMILES CC(=O)N\N=C(\c1ccccc1O)c1cc(Br)ccc1O Show InChI InChI=1S/C15H13BrN2O3/c1-9(19)17-18-15(11-4-2-3-5-13(11)20)12-8-10(16)6-7-14(12)21/h2-8,20-21H,1H3,(H,17,19)/b18-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Competitive inhibition of human GSTA1 activity by double reciprocal Lineweaver-Burk graph				Bioorg Med Chem 22: 3957-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.007 BindingDB Entry DOI: 10.7270/Q28P625B
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50043764 (2-Amino-4-{1-[(carboxy-phenyl-methyl)-carbamoyl]-2...) Show SMILES CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NC(C(O)=O)c1ccccc1 Show InChI InChI=1S/C22H33N3O6S/c1-2-3-4-8-13-32-14-17(24-18(26)12-11-16(23)21(28)29)20(27)25-19(22(30)31)15-9-6-5-7-10-15/h5-7,9-10,16-17,19H,2-4,8,11-14,23H2,1H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione-S-transferase A1 enzyme				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50295556 (C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-G...) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:102.110,82.92,53.61,34.35,8.12,wD:93.101,74.81,62.69,39.52,30.31,16.23,4.4,(58.32,-8.81,;56.96,-8.06,;56.94,-6.52,;55.58,-5.78,;55.55,-4.23,;54.21,-3.5,;52.89,-4.29,;52.92,-5.83,;51.54,-3.55,;51.51,-2.01,;52.83,-1.21,;52.8,.33,;54.17,-1.95,;50.22,-4.34,;48.87,-3.6,;48.85,-2.06,;47.55,-4.39,;47.58,-5.94,;48.93,-6.68,;50.33,-6.03,;51.38,-7.15,;50.63,-8.5,;49.12,-8.2,;46.21,-3.65,;44.89,-4.45,;44.92,-5.98,;43.54,-3.7,;42.22,-4.49,;40.87,-3.75,;40.84,-2.21,;39.55,-4.55,;38.21,-3.81,;36.89,-4.6,;36.92,-6.13,;35.53,-3.85,;35.51,-2.32,;34.22,-4.65,;32.87,-3.91,;32.84,-2.36,;31.55,-4.7,;31.58,-6.24,;32.93,-6.99,;34.32,-6.33,;35.38,-7.46,;34.64,-8.8,;35.13,-10.26,;34.13,-11.42,;32.62,-11.13,;32.11,-9.68,;33.12,-8.52,;30.21,-3.96,;28.89,-4.75,;28.92,-6.29,;27.54,-4.01,;27.51,-2.47,;28.83,-1.68,;28.8,-.13,;27.45,.6,;30.11,.66,;26.22,-4.8,;24.87,-4.07,;24.84,-2.52,;23.55,-4.86,;23.59,-6.4,;24.93,-7.14,;26.25,-6.35,;24.96,-8.68,;22.21,-4.11,;20.89,-4.91,;20.91,-6.45,;19.53,-4.16,;18.22,-4.95,;16.87,-4.22,;16.84,-2.67,;15.56,-5.01,;15.59,-6.55,;16.93,-7.29,;16.96,-8.83,;18.25,-6.5,;14.21,-4.27,;12.9,-5.06,;12.93,-6.59,;11.55,-4.31,;11.52,-2.78,;12.84,-1.97,;12.8,-.44,;14.12,.36,;14.08,1.89,;12.74,2.64,;15.4,2.69,;10.22,-5.11,;8.88,-4.37,;8.85,-2.82,;7.55,-5.16,;7.59,-6.7,;8.94,-7.45,;8.97,-8.98,;7.64,-9.78,;10.32,-9.73,;6.21,-4.42,;4.89,-5.21,;4.92,-6.76,;3.54,-4.48,;3.5,-2.93,;4.83,-2.14,;4.81,-.59,;3.45,.15,;6.11,.2,;2.23,-5.26,;.88,-4.52,;1.96,-3.43,;.1,-3.19,;-.19,-5.62,;-1.68,-5.24,;-2.75,-6.34,;-2.34,-7.82,;-.84,-8.2,;.23,-7.1,;39.58,-6.09,;40.93,-6.83,;38.27,-6.88,;56.87,-3.44,;58.23,-4.19,;56.84,-1.9,)| Show InChI InChI=1S/C77H116N24O21S2/c1-39(2)29-53(97-68(112)49(19-14-27-85-77(82)83)94-69(113)50(20-23-58(78)102)95-71(115)52(22-25-63(107)108)101-124(121,122)45-15-10-9-11-16-45)67(111)87-36-61(105)92-57(33-60(80)104)75(119)96-51(21-24-59(79)103)70(114)99-55(31-43-34-86-47-18-13-12-17-46(43)47)72(116)90-42(7)66(110)100-64(41(5)6)76(120)88-37-62(106)91-56(32-44-35-84-38-89-44)74(118)98-54(30-40(3)4)73(117)93-48(65(81)109)26-28-123-8/h9-13,15-18,34-35,38-42,48-57,64,86,101H,14,19-33,36-37H2,1-8H3,(H2,78,102)(H2,79,103)(H2,80,104)(H2,81,109)(H,84,89)(H,87,111)(H,88,120)(H,90,116)(H,91,106)(H,92,105)(H,93,117)(H,94,113)(H,95,115)(H,96,119)(H,97,112)(H,98,118)(H,99,114)(H,100,110)(H,107,108)(H4,82,83,85)/t42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by glutathione competitive assay				Eur J Med Chem 44: 2009-16 (2009) Article DOI: 10.1016/j.ejmech.2008.10.009 BindingDB Entry DOI: 10.7270/Q2S182J4
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50295554 (C6H5-SO2-Glu-Gln-Ser-Leu-Gly-Asn-Gln-Trp-Ala-Arg-G...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(N)=O |r,wU:107.116,92.98,63.72,44.46,8.16,wD:98.107,84.92,72.80,49.63,33.42,19.27,4.4,(53.04,-39.54,;51.71,-38.78,;51.72,-37.23,;50.38,-36.46,;50.38,-34.92,;49.04,-34.15,;47.72,-34.92,;47.71,-36.46,;46.38,-34.15,;46.38,-32.6,;47.72,-31.84,;49.05,-32.61,;50.38,-31.84,;50.39,-30.3,;49.05,-29.53,;47.72,-30.29,;45.04,-34.91,;43.71,-34.15,;43.71,-32.6,;42.38,-34.91,;42.38,-36.46,;43.71,-37.22,;45.12,-36.6,;46.15,-37.74,;45.37,-39.08,;43.87,-38.75,;41.04,-34.14,;39.71,-34.91,;39.71,-36.45,;38.37,-34.14,;37.04,-34.9,;35.71,-34.14,;35.71,-32.59,;34.37,-34.9,;34.37,-36.45,;35.71,-37.21,;35.71,-38.76,;37.04,-39.53,;37.04,-41.07,;35.7,-41.84,;38.37,-41.84,;33.04,-34.14,;31.71,-34.9,;31.71,-36.45,;30.37,-34.14,;30.37,-32.59,;29.04,-34.9,;27.71,-34.13,;27.71,-32.59,;26.37,-34.9,;26.37,-36.44,;27.71,-37.21,;29.11,-36.58,;30.14,-37.73,;29.37,-39.07,;29.84,-40.53,;28.81,-41.67,;27.31,-41.35,;26.83,-39.89,;27.87,-38.74,;25.04,-34.13,;23.7,-34.89,;23.7,-36.44,;22.37,-34.13,;22.37,-32.59,;23.71,-31.82,;23.71,-30.27,;22.37,-29.51,;25.04,-29.51,;21.03,-34.89,;19.7,-34.13,;19.71,-32.58,;18.37,-34.89,;18.37,-36.44,;19.7,-37.2,;21.03,-36.44,;19.7,-38.75,;17.04,-34.12,;15.7,-34.89,;15.7,-36.43,;14.36,-34.12,;13.03,-34.89,;11.7,-34.12,;11.7,-32.58,;10.36,-34.88,;10.36,-36.43,;11.7,-37.19,;11.7,-38.74,;13.03,-36.43,;9.04,-34.12,;7.7,-34.88,;7.7,-36.43,;6.36,-34.12,;6.36,-32.58,;7.7,-31.81,;5.03,-34.89,;3.7,-34.11,;3.7,-32.58,;2.36,-34.88,;2.36,-36.42,;3.7,-37.19,;3.69,-38.74,;2.36,-39.51,;5.03,-39.5,;1.03,-34.11,;-.31,-34.88,;-.31,-36.42,;-1.64,-34.11,;-1.64,-32.57,;-.3,-31.8,;-.3,-30.26,;-1.64,-29.49,;1.03,-29.5,;-2.97,-34.87,;-4.29,-34.11,;-3.21,-33.01,;-5.07,-32.77,;-5.37,-35.2,;-6.85,-34.82,;-7.93,-35.91,;-7.52,-37.39,;-6.02,-37.77,;-4.95,-36.68,;51.71,-34.15,;53.05,-34.92,;51.71,-32.61,)| Show InChI InChI=1S/C78H110N24O22S2/c1-41(2)30-54(98-77(122)59(39-103)101-71(116)52(22-25-61(80)105)96-72(117)53(23-26-65(109)110)102-126(123,124)46-16-9-6-10-17-46)69(114)89-38-64(108)93-58(34-62(81)106)76(121)97-51(21-24-60(79)104)70(115)100-56(32-44-35-87-48-19-12-11-18-47(44)48)73(118)91-42(3)67(112)95-50(20-13-28-86-78(83)84)68(113)88-37-63(107)92-57(33-45-36-85-40-90-45)75(120)99-55(31-43-14-7-5-8-15-43)74(119)94-49(66(82)111)27-29-125-4/h5-12,14-19,35-36,40-42,49-59,87,102-103H,13,20-34,37-39H2,1-4H3,(H2,79,104)(H2,80,105)(H2,81,106)(H2,82,111)(H,85,90)(H,88,113)(H,89,114)(H,91,118)(H,92,107)(H,93,108)(H,94,119)(H,95,112)(H,96,117)(H,97,121)(H,98,122)(H,99,120)(H,100,115)(H,101,116)(H,109,110)(H4,83,84,86)/t42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by glutathione competitive assay				Eur J Med Chem 44: 2009-16 (2009) Article DOI: 10.1016/j.ejmech.2008.10.009 BindingDB Entry DOI: 10.7270/Q2S182J4
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50295555 (C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-G...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:105.114,85.96,56.65,37.39,8.16,wD:96.105,77.85,65.73,42.56,33.35,19.27,4.4,(57.23,-24.89,;55.88,-24.13,;55.87,-22.59,;54.53,-21.83,;54.52,-20.28,;53.18,-19.53,;51.85,-20.31,;51.86,-21.85,;50.51,-19.56,;50.5,-18.01,;51.83,-17.23,;53.16,-17.99,;54.49,-17.21,;54.48,-15.67,;53.14,-14.91,;51.81,-15.69,;49.18,-20.33,;47.84,-19.58,;47.83,-18.04,;46.52,-20.36,;46.53,-21.9,;47.87,-22.65,;49.27,-22.02,;50.31,-23.15,;49.55,-24.5,;48.04,-24.18,;45.18,-19.6,;43.85,-20.38,;43.86,-21.92,;42.51,-19.62,;41.18,-20.4,;39.84,-19.65,;39.83,-18.1,;38.51,-20.42,;37.18,-19.67,;35.85,-20.45,;35.86,-21.98,;34.5,-19.69,;34.49,-18.15,;33.18,-20.47,;31.84,-19.71,;31.83,-18.17,;30.51,-20.49,;30.52,-22.03,;31.87,-22.79,;33.27,-22.15,;34.31,-23.29,;33.55,-24.62,;34.03,-26.09,;33.02,-27.24,;31.51,-26.93,;31.02,-25.48,;32.04,-24.32,;29.18,-19.73,;27.85,-20.51,;27.86,-22.06,;26.5,-19.76,;26.49,-18.22,;27.82,-17.44,;27.81,-15.89,;26.47,-15.14,;29.13,-15.12,;25.18,-20.54,;23.84,-19.78,;23.83,-18.24,;22.51,-20.56,;22.53,-22.1,;23.86,-22.86,;25.19,-22.08,;23.88,-24.4,;21.17,-19.8,;19.85,-20.58,;19.86,-22.12,;18.5,-19.83,;17.18,-20.6,;15.84,-19.85,;15.83,-18.3,;14.51,-20.63,;14.52,-22.17,;15.87,-22.92,;15.88,-24.46,;17.19,-22.14,;13.18,-19.87,;11.86,-20.65,;11.87,-22.18,;10.51,-19.89,;10.5,-18.35,;11.84,-17.58,;11.81,-16.03,;13.13,-15.26,;13.13,-13.71,;11.78,-12.96,;14.45,-12.94,;9.18,-20.67,;7.85,-19.93,;7.83,-18.38,;6.51,-20.69,;6.53,-22.23,;7.87,-22.99,;7.88,-24.53,;6.55,-25.31,;9.23,-25.29,;5.18,-19.94,;3.85,-20.73,;3.86,-22.26,;2.5,-19.96,;2.49,-18.43,;3.82,-17.63,;3.81,-16.09,;2.46,-15.34,;5.13,-15.32,;1.18,-20.74,;-.16,-19.99,;.6,-18.66,;-.94,-18.66,;-1.02,-21.26,;-2.55,-21.14,;-3.41,-22.41,;-2.75,-23.79,;-1.21,-23.9,;-.35,-22.64,;38.52,-21.97,;39.87,-22.72,;37.2,-22.74,;55.84,-19.51,;57.19,-20.27,;55.83,-17.96,)| Show InChI InChI=1S/C80H114N24O21S2/c1-42(2)32-56(100-71(115)52(22-15-30-88-80(85)86)97-72(116)53(23-26-61(81)105)98-74(118)55(25-28-66(110)111)104-127(124,125)48-18-11-8-12-19-48)70(114)90-39-64(108)95-60(36-63(83)107)78(122)99-54(24-27-62(82)106)73(117)102-58(34-46-37-89-50-21-14-13-20-49(46)50)75(119)93-44(5)69(113)103-67(43(3)4)79(123)91-40-65(109)94-59(35-47-38-87-41-92-47)77(121)101-57(33-45-16-9-7-10-17-45)76(120)96-51(68(84)112)29-31-126-6/h7-14,16-21,37-38,41-44,51-60,67,89,104H,15,22-36,39-40H2,1-6H3,(H2,81,105)(H2,82,106)(H2,83,107)(H2,84,112)(H,87,92)(H,90,114)(H,91,123)(H,93,119)(H,94,109)(H,95,108)(H,96,120)(H,97,116)(H,98,118)(H,99,122)(H,100,115)(H,101,121)(H,102,117)(H,103,113)(H,110,111)(H4,85,86,88)/t44-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by glutathione competitive assay				Eur J Med Chem 44: 2009-16 (2009) Article DOI: 10.1016/j.ejmech.2008.10.009 BindingDB Entry DOI: 10.7270/Q2S182J4
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50043760 (2-Amino-4-[1-[(carboxy-phenyl-methyl)-carbamoyl]-2...) Show SMILES NC(CCC(=O)NC(CSCc1ccc(Cl)cc1)C(=O)NC(C(O)=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C23H26ClN3O6S/c24-16-8-6-14(7-9-16)12-34-13-18(26-19(28)11-10-17(25)22(30)31)21(29)27-20(23(32)33)15-4-2-1-3-5-15/h1-9,17-18,20H,10-13,25H2,(H,26,28)(H,27,29)(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione-S-transferase A1 enzyme				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50043762 (2-Amino-4-{2-benzylsulfanyl-1-[(carboxy-phenyl-met...) Show SMILES NC(CCC(=O)NC(CSCc1ccccc1)C(=O)NC(C(O)=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione-S-transferase A1 enzyme				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50043761 (2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-hexylsul...) Show SMILES CCCCCCSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O Show InChI InChI=1S/C17H31N3O6S/c1-2-3-4-5-10-27-11-13(16(24)19-9-8-15(22)23)20-14(21)7-6-12(18)17(25)26/h12-13H,2-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione-S-transferase A1 enzyme				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50043763 (2-Amino-4-[1-(2-carboxy-ethylcarbamoyl)-2-(4-methy...) Show SMILES Cc1ccc(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCCC(O)=O)cc1 Show InChI InChI=1S/C19H27N3O6S/c1-12-2-4-13(5-3-12)10-29-11-15(18(26)21-9-8-17(24)25)22-16(23)7-6-14(20)19(27)28/h2-5,14-15H,6-11,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione-S-transferase A1 enzyme				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50395590 (CHEMBL2165141) Show SMILES Cn1cccc1S(=O)(=O)Cc1ccccc1\N=C\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C19H17N3O4S/c1-21-12-4-7-19(21)27(25,26)14-16-5-2-3-6-18(16)20-13-15-8-10-17(11-9-15)22(23)24/h2-13H,14H2,1H3/b20-13+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human GSTA1-1 expressed in Escherichia coli BL21 (DE3) using CDNB as substrate				J Med Chem 55: 6802-13 (2012) Article DOI: 10.1021/jm300385f BindingDB Entry DOI: 10.7270/Q2DN4654
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50395591 (CHEMBL2165146) Show SMILES Cn1cccc1S(=O)(=O)Cc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C12H12N2O4S/c1-13-8-4-7-12(13)19(17,18)9-10-5-2-3-6-11(10)14(15)16/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agricultural University of Athens Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human GSTA1-1 expressed in Escherichia coli BL21 (DE3) using CDNB as substrate				J Med Chem 55: 6802-13 (2012) Article DOI: 10.1021/jm300385f BindingDB Entry DOI: 10.7270/Q2DN4654
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50043759 (2-Amino-4-[2-benzylsulfanyl-1-(2-carboxy-ethylcarb...) Show SMILES NC(CCC(=O)NC(CSCc1ccccc1)C(=O)NCCC(O)=O)C(O)=O Show InChI InChI=1S/C18H25N3O6S/c19-13(18(26)27)6-7-15(22)21-14(17(25)20-9-8-16(23)24)11-28-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Terrapin Technologies Curated by ChEMBL					Assay Description Inhibitory activity of the compound was measured on recombinant human Glutathione-S-transferase A1 enzyme				J Med Chem 37: 189-94 (1994) BindingDB Entry DOI: 10.7270/Q21V5D1V
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218770 (US9296757, 92) Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)N(CCN(C)C)Cc1ccccc1 |w:21.30| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218771 (US9296757, 93) Show SMILES COCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:11.10| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218768 (US9296757, 90) Show SMILES CCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:9.8| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218766 (US9296757, 88) Show SMILES CCCCN(CC#N)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:10.9| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218767 (US9296757, 89) Show SMILES CCCCN(C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:8.7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218765 (US9296757, 87) Show SMILES CCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:10.9| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218764 (US9296757, 86) Show SMILES CCN(C(C)C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:8.7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218763 (US9296757, 85) Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)N(C)C |w:21.30| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218709 (US9296757, 31) Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)NC(C)C |w:21.30| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214639 (US9284319, 7) Show SMILES OC[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r| Show InChI InChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214635 (US9284319, 3) Show SMILES OC1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214633 (US9284319, 1) Show SMILES OC[C@@H]1CCCN1c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r| Show InChI InChI=1S/C19H18N4O2/c24-12-14-5-3-9-22(14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218714 (US9296757, 36) Show SMILES CN(C)CCN(Cc1ccccc1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21 |w:15.15| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218687 (US9296757, 9) Show SMILES O=C(NCc1ccccc1)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21 |w:10.10| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214649 (US9284319, R7 | US9730929, Example R7 | US9783543,...) Show SMILES CN(C)CCNc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Show InChI InChI=1S/C18H19N5O/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218688 (US9296757, 10) Show SMILES FC(F)(F)c1cccc(CNC(=O)C2CCc3c(C2)sc2ncnc(Nc4ccc5[nH]c(=O)sc5c4)c32)c1 |w:13.12| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214638 (US9284319, 6) Show SMILES OC1CN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 Show InChI InChI=1S/C17H14N4O2/c22-12-9-20(10-12)17-6-5-16-18-8-13(21(16)19-17)15-7-11-3-1-2-4-14(11)23-15/h1-8,12,22H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214649 (US9284319, R7 | US9730929, Example R7 | US9783543,...) Show SMILES CN(C)CCNc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Show InChI InChI=1S/C18H19N5O/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214637 (US9284319, 5) Show SMILES OCC1CCCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 Show InChI InChI=1S/C20H20N4O2/c25-13-14-4-3-9-23(12-14)20-8-7-19-21-11-16(24(19)22-20)18-10-15-5-1-2-6-17(15)26-18/h1-2,5-8,10-11,14,25H,3-4,9,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50186225 (3-((3-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...) Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCC(=O)NCc2cc(CNC(=O)CCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C40H41Cl4N5O9/c1-5-22(4)39(55)27-7-9-29(37(44)35(27)42)58-20-33(53)47-13-11-31(51)49-18-24-14-23(15-25(16-24)40(45)56)17-48-30(50)10-12-46-32(52)19-57-28-8-6-26(34(41)36(28)43)38(54)21(2)3/h6-9,14-16H,2,4-5,10-13,17-20H2,1,3H3,(H2,45,56)(H,46,52)(H,47,53)(H,48,50)(H,49,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosytems Curated by ChEMBL					Assay Description Inhibition of GST A1-1				Bioorg Med Chem Lett 16: 3780-3 (2006) Article DOI: 10.1016/j.bmcl.2006.04.041 BindingDB Entry DOI: 10.7270/Q28W3CXV
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214639 (US9284319, 7) Show SMILES OC[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r| Show InChI InChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1 (Homo sapiens (Human))	BDBM50186230 (3-((4-(2-(2,3-dichloro-4-(2-methylenebutanoyl)phen...) Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)COc3ccc(C(=O)C(C)=C)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C42H45Cl4N5O9/c1-5-24(4)41(57)29-11-13-31(39(46)37(29)44)60-22-35(55)49-15-7-9-33(53)51-20-26-16-25(17-27(18-26)42(47)58)19-50-32(52)8-6-14-48-34(54)21-59-30-12-10-28(36(43)38(30)45)40(56)23(2)3/h10-13,16-18H,2,4-9,14-15,19-22H2,1,3H3,(H2,47,58)(H,48,54)(H,49,55)(H,50,52)(H,51,53)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
Syntrix Biosytems Curated by ChEMBL					Assay Description Inhibition of GST A1-1				Bioorg Med Chem Lett 16: 3780-3 (2006) Article DOI: 10.1016/j.bmcl.2006.04.041 BindingDB Entry DOI: 10.7270/Q28W3CXV
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214640 (US9284319, 8) Show SMILES O[C@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r| Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214636 (US9284319, 4) Show SMILES O[C@@H]1CCCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r| Show InChI InChI=1S/C19H18N4O2/c24-14-5-3-9-22(12-14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214641 (US9284319, 9) Show SMILES O[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r| Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218708 (US9296757, 30 | US9296757, 33) Show SMILES CCOC(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:5.4| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214635 (US9284319, 3) Show SMILES OC1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214648 (US9284319, R6 | US9730929, Example R6 | US9783543,...) Show SMILES C(Cc1ccccn1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1 Show InChI InChI=1S/C21H17N5O/c1-2-7-18-15(5-1)13-19(27-18)17-14-24-21-9-8-20(25-26(17)21)23-12-10-16-6-3-4-11-22-16/h1-9,11,13-14H,10,12H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214640 (US9284319, 8) Show SMILES O[C@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r| Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218747 (US9296757, 69) Show SMILES CCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21 |w:10.9| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM214633 (US9284319, 1) Show SMILES OC[C@@H]1CCCN1c1ccc2ncc(-c3cc4ccccc4o3)n2n1 |r| Show InChI InChI=1S/C19H18N4O2/c24-12-14-5-3-9-22(14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9284319 (2016) BindingDB Entry DOI: 10.7270/Q2765D6D
					More data for this Ligand-Target Pair

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