Compile Data Set for Download or QSAR

Found 155 hits of ic50 for UniProtKB: P08263   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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
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))	BDBM214642 (US9284319, 10) 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-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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))	BDBM218712 (US9296757, 34) Show SMILES CCCCN(CC#N)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	20	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))	BDBM218719 (US9296757, 41) Show SMILES CCCCN(C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)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	21	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))	BDBM214634 (US9284319, 2) 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-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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))	BDBM218707 (US9296757, 29 | US9296757, 37) Show SMILES CN1CCN(CC1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21 |w:9.9| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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))	BDBM214650 (US10688093, Compound 229_0237_0073 | US11701353, C...) Show SMILES C(Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccncc1 Show InChI InChI=1S/C20H15N5O/c1-2-4-17-15(3-1)11-18(26-17)16-13-23-20-6-5-19(24-25(16)20)22-12-14-7-9-21-10-8-14/h1-11,13H,12H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	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))	BDBM218748 (US9296757, 70) Show SMILES CCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)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	24	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 (Homo sapiens (Human))	BDBM50186229 (3,5-bis((2-(2-(2,3-dichloro-4-(2-methylenebutanoyl...) Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCC(=O)NCc2cc(CNC(=O)CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C39H39Cl4N5O9/c1-5-20(3)37(53)25-7-9-27(35(42)33(25)40)56-18-31(51)47-16-29(49)45-14-22-11-23(13-24(12-22)39(44)55)15-46-30(50)17-48-32(52)19-57-28-10-8-26(34(41)36(28)43)38(54)21(4)6-2/h7-13H,3-6,14-19H2,1-2H3,(H2,44,55)(H,45,49)(H,46,50)(H,47,51)(H,48,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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))	BDBM218692 (US9296757, 14) Show SMILES Fc1cccc(CNC(=O)C2CCc3c(C2)sc2ncnc(Nc4ccc5[nH]c(=O)sc5c4)c32)c1 |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	25	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))	BDBM218742 (US9296757, 64) Show SMILES O=C(C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21)N1CCN2CCCCC2C1 |w:2.1| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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))	BDBM218734 (US9296757, 56) Show SMILES CN(CC1CCCO1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21 |w:10.10,2.2| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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))	BDBM218732 (US9296757, 54) Show SMILES CC(C)N(CCO)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)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	28	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))	BDBM218762 (US9296757, 84) Show SMILES COC1CCCN(C1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21 |w:10.10,2.1| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	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))	BDBM218730 (US9296757, 52) Show SMILES COCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)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	30	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))	BDBM218746 (US9296757, 68) Show SMILES CC1CN(CC(C)O1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21 |w:10.10,1.0,5.5| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	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))	BDBM218739 (US9296757, 61) Show SMILES CN(C1CCN(C1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21)C(C)=O |w:9.9,2.1| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	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))	BDBM218753 (US9296757, 75) Show SMILES O=C(C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21)N1CCCC(C1)C#N |w:2.1,30.37| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	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 (Homo sapiens (Human))	BDBM50186228 (3,5-bis((2-(2,3-dichloro-4-(2-methylenebutanoyl)ph...) Show SMILES CCC(=C)C(=O)c1ccc(OCC(=O)NCc2cc(CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(c2)C(N)=O)c(Cl)c1Cl Show InChI InChI=1S/C35H33Cl4N3O7/c1-5-18(3)33(45)23-7-9-25(31(38)29(23)36)48-16-27(43)41-14-20-11-21(13-22(12-20)35(40)47)15-42-28(44)17-49-26-10-8-24(30(37)32(26)39)34(46)19(4)6-2/h7-13H,3-6,14-17H2,1-2H3,(H2,40,47)(H,41,43)(H,42,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32.7	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))	BDBM218686 (US9296757, 8) Show SMILES O=C(Nc1ccccc1)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21 |w:9.9| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	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

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