Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'reymundo' and Initial = 'i'   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50326432 (CHEMBL1242995 | N-ethyl-4-methyl-5-(2-(4-(piperazi...) Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C20H25N7S/c1-3-22-20-24-14(2)18(28-20)17-8-9-23-19(26-17)25-15-4-6-16(7-5-15)27-12-10-21-11-13-27/h4-9,21H,3,10-13H2,1-2H3,(H,22,24)(H,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of FLT3				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326421 (2,6-Dibromo-4-(6,7-dimethoxy-quinazolin-4-ylamino)...) Show SMILES COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC Show InChI InChI=1S/C16H13Br2N3O3/c1-23-13-5-9-12(6-14(13)24-2)19-7-20-16(9)21-8-3-10(17)15(22)11(18)4-8/h3-7,22H,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326413 (4-(9H-purin-6-ylamino)benzamide | CHEMBL1241463) Show SMILES NC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1 Show InChI InChI=1S/C12H10N6O/c13-10(19)7-1-3-8(4-2-7)18-12-9-11(15-5-14-9)16-6-17-12/h1-6H,(H2,13,19)(H2,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM27344 (2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1 Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK2				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16314 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...) Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM3532 (CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50326412 (4-(3-(piperidin-4-yl)-1H-pyrazol-5-yl)pyridine | C...) Show SMILES C1CC(CCN1)c1cc(n[nH]1)-c1ccncc1 Show InChI InChI=1S/C13H16N4/c1-5-14-6-2-10(1)12-9-13(17-16-12)11-3-7-15-8-4-11/h1-2,5-6,9,11,15H,3-4,7-8H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	575	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK2				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326429 (CHEMBL1240786 | N-(4-chlorophenyl)-1H-pyrazolo[3,4...) Show SMILES Clc1ccc(Nc2ncnc3n[nH]cc23)cc1 Show InChI InChI=1S/C11H8ClN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326412 (4-(3-(piperidin-4-yl)-1H-pyrazol-5-yl)pyridine | C...) Show SMILES C1CC(CCN1)c1cc(n[nH]1)-c1ccncc1 Show InChI InChI=1S/C13H16N4/c1-5-14-6-2-10(1)12-9-13(17-16-12)11-3-7-15-8-4-11/h1-2,5-6,9,11,15H,3-4,7-8H2,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326428 (4-(9H-Purin-6-ylamino)-benzoic acid methyl ester |...) Show SMILES COC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1 Show InChI InChI=1S/C13H11N5O2/c1-20-13(19)8-2-4-9(5-3-8)18-12-10-11(15-6-14-10)16-7-17-12/h2-7H,1H3,(H2,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50298223 (CGP-57380 | CHEMBL1240885 | CHEMBL576817 | N-(4-fl...) Show SMILES Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12 Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326427 ((4-Fluoro-phenyl)-(9H-purin-6-yl)-amine | CHEMBL36...) Show SMILES Fc1ccc(Nc2ncnc3nc[nH]c23)cc1 Show InChI InChI=1S/C11H8FN5/c12-7-1-3-8(4-2-7)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50321929 (3-((1-Cyclohexyl-3-hydroxypropan-2-ylamino)methyl)...) Show SMILES OCC(CC1CCCCC1)NCc1coc2cccc(OCC3CCCCC3)c2c1=O Show InChI InChI=1S/C26H37NO4/c28-16-22(14-19-8-3-1-4-9-19)27-15-21-18-31-24-13-7-12-23(25(24)26(21)29)30-17-20-10-5-2-6-11-20/h7,12-13,18-20,22,27-28H,1-6,8-11,14-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326430 (CHEMBL1240884 | N-(naphthalen-2-yl)-1H-pyrazolo[3,...) Show SMILES N(c1ccc2ccccc2c1)c1ncnc2n[nH]cc12 Show InChI InChI=1S/C15H11N5/c1-2-4-11-7-12(6-5-10(11)3-1)19-14-13-8-18-20-15(13)17-9-16-14/h1-9H,(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326422 (3-(6-(methylamino)imidazo[1,2-b]pyridazin-3-yl)phe...) Show SMILES CNc1ccc2ncc(-c3cccc(O)c3)n2n1 Show InChI InChI=1S/C13H12N4O/c1-14-12-5-6-13-15-8-11(17(13)16-12)9-3-2-4-10(18)7-9/h2-8,18H,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM53334 (2-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)pip...) Show SMILES COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(C)CSC Show InChI InChI=1S/C20H28N4O2S/c1-15(14-27-3)23-12-9-16(10-13-23)24-19(8-11-21-24)22-20(25)17-6-4-5-7-18(17)26-2/h4-8,11,15-16H,9-10,12-14H2,1-3H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50298223 (CGP-57380 | CHEMBL1240885 | CHEMBL576817 | N-(4-fl...) Show SMILES Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12 Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK2				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326416 (3-(4-chlorophenyl)-N-(2-methoxyethyl)imidazo[1,2-b...) Show SMILES COCCNc1ccc2ncc(-c3ccc(Cl)cc3)n2n1 Show InChI InChI=1S/C15H15ClN4O/c1-21-9-8-17-14-6-7-15-18-10-13(20(15)19-14)11-2-4-12(16)5-3-11/h2-7,10H,8-9H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM3603 (4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimid...) Show SMILES CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 Show InChI InChI=1S/C14H12BrN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326425 (CHEMBL1240674 | N-(cyclopropylmethyl)-5-(pyridin-4...) Show SMILES C(Nc1nn2c(cnc2s1)-c1ccncc1)C1CC1 Show InChI InChI=1S/C13H13N5S/c1-2-9(1)7-15-12-17-18-11(8-16-13(18)19-12)10-3-5-14-6-4-10/h3-6,8-9H,1-2,7H2,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326418 (3-(3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yla...) Show SMILES OCCCNc1ccc2ncc(-c3ccc(F)cc3)n2n1 Show InChI InChI=1S/C15H15FN4O/c16-12-4-2-11(3-5-12)13-10-18-15-7-6-14(19-20(13)15)17-8-1-9-21/h2-7,10,21H,1,8-9H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM27344 (2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1 Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Sgk1 (Homo sapiens (Human))	BDBM50298223 (CGP-57380 | CHEMBL1240885 | CHEMBL576817 | N-(4-fl...) Show SMILES Nc1ncnc2n[nH]c(Nc3ccc(F)cc3)c12 Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of SGK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM3570 (8-[(3-Bromophenyl)amino]-1H-imidazo[4,5-g]quinazol...) Show SMILES Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1 Show InChI InChI=1S/C15H10BrN5/c16-9-2-1-3-10(4-9)21-15-11-5-13-14(19-7-18-13)6-12(11)17-8-20-15/h1-8H,(H,18,19)(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326415 (2-(3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yla...) Show SMILES OCCNc1ccc2ncc(-c3ccc(Cl)cc3)n2n1 Show InChI InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)12-9-17-14-6-5-13(16-7-8-20)18-19(12)14/h1-6,9,20H,7-8H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135849 (2,3,4-trichloro-6-(3,4,5-trichloro-2-hydroxyphenox...) Show SMILES Oc1c(Oc2cc(Cl)c(Cl)c(Cl)c2O)cc(Cl)c(Cl)c1Cl Show InChI InChI=1S/C12H4Cl6O3/c13-3-1-5(11(19)9(17)7(3)15)21-6-2-4(14)8(16)10(18)12(6)20/h1-2,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135852 (2,3,4-tribromo-6-(3,4-dibromo-5-fluoro-2-hydroxyph...) Show SMILES Oc1c(Br)c(Br)c(F)cc1Oc1cc(Br)c(Br)c(Br)c1O Show InChI InChI=1S/C12H4Br5FO3/c13-3-1-5(11(19)9(16)7(3)14)21-6-2-4(18)8(15)10(17)12(6)20/h1-2,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326419 (3-(3-(2-fluorophenyl)imidazo[1,2-b]pyridazin-6-yla...) Show SMILES OCCCNc1ccc2ncc(-c3ccccc3F)n2n1 Show InChI InChI=1S/C15H15FN4O/c16-12-5-2-1-4-11(12)13-10-18-15-7-6-14(19-20(13)15)17-8-3-9-21/h1-2,4-7,10,21H,3,8-9H2,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16312 ((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...) Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r| Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326424 (3-(pyridin-4-yl)imidazo[1,2-b]pyridazine | CHEMBL1...) Show SMILES c1nc2cccnn2c1-c1ccncc1 Show InChI InChI=1S/C11H8N4/c1-2-11-13-8-10(15(11)14-5-1)9-3-6-12-7-4-9/h1-8H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326423 (3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin...) Show SMILES CNc1ccc2ncc(-c3ccc(F)cc3)n2n1 Show InChI InChI=1S/C13H11FN4/c1-15-12-6-7-13-16-8-11(18(13)17-12)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326417 (3-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-b...) Show SMILES COCCNc1ccc2ncc(-c3ccc(F)cc3)n2n1 Show InChI InChI=1S/C15H15FN4O/c1-21-9-8-17-14-6-7-15-18-10-13(20(15)19-14)11-2-4-12(16)5-3-11/h2-7,10H,8-9H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326420 (3-phenyl-N-(2-(pyridin-2-yl)ethyl)imidazo[1,2-b]py...) Show SMILES C(Cc1ccccn1)Nc1ccc2ncc(-c3ccccc3)n2n1 Show InChI InChI=1S/C19H17N5/c1-2-6-15(7-3-1)17-14-22-19-10-9-18(23-24(17)19)21-13-11-16-8-4-5-12-20-16/h1-10,12,14H,11,13H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135854 (2,4-Dibromo-6-(3,4,5-tribromo-2-hydroxy-phenoxy)-b...) Show SMILES Oc1c(Br)cc(Oc2cc(Br)c(Br)c(Br)c2O)c(O)c1Br Show InChI InChI=1S/C12H5Br5O4/c13-3-1-5(11(19)8(16)7(3)15)21-6-2-4(14)10(18)9(17)12(6)20/h1-2,18-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50309189 (4-(2-amino-5-phenylpyridin-3-yl)benzamide | CHEMBL...) Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c19-17-16(13-6-8-14(9-7-13)18(20)22)10-15(11-21-17)12-4-2-1-3-5-12/h1-11H,(H2,19,21)(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135850 (2,3,4,5-Tetrabromo-6-(3,4,5-tribromo-2-hydroxy-phe...) Show SMILES Oc1c(Oc2c(O)c(Br)c(Br)c(Br)c2Br)cc(Br)c(Br)c1Br Show InChI InChI=1S/C12H3Br7O3/c13-2-1-3(10(20)7(17)4(2)14)22-12-9(19)6(16)5(15)8(18)11(12)21/h1,20-21H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135853 (2,3,4-tribromo-6-(3,4,5-tribromo-2-hydroxyphenoxy)...) Show SMILES Oc1c(Oc2cc(Br)c(Br)c(Br)c2O)cc(Br)c(Br)c1Br Show InChI InChI=1S/C12H4Br6O3/c13-3-1-5(11(19)9(17)7(3)15)21-6-2-4(14)8(16)10(18)12(6)20/h1-2,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326426 (CHEMBL1240675 | N-isobutyl-5-(pyridin-4-yl)imidazo...) Show SMILES CC(C)CNc1nn2c(cnc2s1)-c1ccncc1 Show InChI InChI=1S/C13H15N5S/c1-9(2)7-15-12-17-18-11(8-16-13(18)19-12)10-3-5-14-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135851 (2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...) Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50326414 (1H-pyrazolo[4,3-g]quinazolin-5(6H)-one | CHEMBL124...) Show SMILES O=c1[nH]cnc2cc3n[nH]cc3cc12 Show InChI InChI=1S/C9H6N4O/c14-9-6-1-5-3-12-13-7(5)2-8(6)10-4-11-9/h1-4H,(H,12,13)(H,10,11,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of MNK1				J Med Chem 53: 6618-28 (2010) Article DOI: 10.1021/jm1005513 BindingDB Entry DOI: 10.7270/Q2Z038CP
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135856 (6-(2-Amino-3,4,5-tribromo-phenoxy)-2,3,4-tribromo-...) Show SMILES Nc1c(Br)c(Br)c(Br)cc1Oc1cc(Br)c(Br)c(Br)c1O Show InChI InChI=1S/C12H5Br6NO2/c13-3-1-5(11(19)9(17)7(3)15)21-6-2-4(14)8(16)10(18)12(6)20/h1-2,20H,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50135855 (CHEMBL358713 | [2,3,4,5-Tetrabromo-6-(3,5-dibromo-...) Show SMILES OC(=O)COc1c(Br)cc(Br)cc1Oc1c(Br)c(Br)c(Br)c(Br)c1CC(O)=O Show InChI InChI=1S/C16H8Br6O6/c17-5-1-7(18)16(27-4-10(25)26)8(2-5)28-15-6(3-9(23)24)11(19)12(20)13(21)14(15)22/h1-2H,3-4H2,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Biomar, S.A. Curated by ChEMBL					Assay Description In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined				J Med Chem 46: 5208-21 (2003) Article DOI: 10.1021/jm030957n BindingDB Entry DOI: 10.7270/Q20Z72PQ
					More data for this Ligand-Target Pair