Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'balachandran' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50262025 (3-(6-(2,4-difluorophenylamino)-1H-pyrazolo[3,4-b]p...) Show SMILES COc1ccc(cc1-c1n[nH]c2nc(Nc3ccc(F)cc3F)ccc12)C(=O)NN1CCOCC1 Show InChI InChI=1S/C24H22F2N6O3/c1-34-20-6-2-14(24(33)31-32-8-10-35-11-9-32)12-17(20)22-16-4-7-21(28-23(16)30-29-22)27-19-5-3-15(25)13-18(19)26/h2-7,12-13H,8-11H2,1H3,(H,31,33)(H2,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin)				Bioorg Med Chem 16: 7167-76 (2008) Article DOI: 10.1016/j.bmc.2008.06.042 BindingDB Entry DOI: 10.7270/Q2FJ2GKB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214095 (CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB (unknown origin)				Bioorg Med Chem 16: 7167-76 (2008) Article DOI: 10.1016/j.bmc.2008.06.042 BindingDB Entry DOI: 10.7270/Q2FJ2GKB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5768 ((4-butoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)(phenyl)m...) Show SMILES CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1 Show InChI InChI=1S/C17H17N3O2/c1-2-3-9-22-16-13(10-18-17-14(16)11-19-20-17)15(21)12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,18,19,20)	PDB MMDB 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	110	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Bioorg Med Chem 16: 7167-76 (2008) Article DOI: 10.1016/j.bmc.2008.06.042 BindingDB Entry DOI: 10.7270/Q2FJ2GKB
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298023 (2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298023 (2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298023 (2-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C19H15FN2O4/c20-15-9-11(5-6-17(15)23)16-10-12(26-21-16)7-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,9,12,23H,7-8,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298024 (2-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C20H17FN2O4/c21-16-10-12(7-8-18(16)24)17-11-13(27-22-17)4-3-9-23-19(25)14-5-1-2-6-15(14)20(23)26/h1-2,5-8,10,13,24H,3-4,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298024 (2-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCCN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C20H17FN2O4/c21-16-10-12(7-8-18(16)24)17-11-13(27-22-17)4-3-9-23-19(25)14-5-1-2-6-15(14)20(23)26/h1-2,5-8,10,13,24H,3-4,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298009 (CHEMBL559125 | N-cyclohexyl-3(3-(3-(3-fluoro-4-met...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:10| Show InChI InChI=1S/C21H25FN4O4/c1-28-17-8-7-13(11-15(17)22)16-12-18(29-25-16)21-24-20(30-26-21)10-9-19(27)23-14-5-3-2-4-6-14/h7-8,11,14,18H,2-6,9-10,12H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298021 (4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-di...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)c2ccc(F)cc2)C1 |t:9| Show InChI InChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298008 (3-(3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisox...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(O)=O)n1 |t:10| Show InChI InChI=1S/C15H14FN3O5/c1-22-11-3-2-8(6-9(11)16)10-7-12(23-18-10)15-17-13(24-19-15)4-5-14(20)21/h2-3,6,12H,4-5,7H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298027 (2-fluoro-4-(5((5-(trifluoromethyl)-1,2,4-oxadiazol...) Show SMILES Oc1ccc(cc1F)C1=NOC(Cc2noc(n2)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H9F4N3O3/c14-8-3-6(1-2-10(8)21)9-4-7(22-19-9)5-11-18-12(23-20-11)13(15,16)17/h1-3,7,21H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298021 (4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-di...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)c2ccc(F)cc2)C1 |t:9| Show InChI InChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298020 (2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298025 (1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9| Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298018 (CHEMBL549864 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)(C)C(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298014 (3-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(n1)-c1cccc(O)c1O |t:9| Show InChI InChI=1S/C17H12FN3O5/c18-10-6-8(4-5-12(10)22)11-7-14(25-20-11)16-19-17(26-21-16)9-2-1-3-13(23)15(9)24/h1-6,14,22-24H,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298019 (CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298025 (1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9| Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298021 (4-fluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-di...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)c2ccc(F)cc2)C1 |t:9| Show InChI InChI=1S/C18H16F2N2O3/c19-13-4-1-11(2-5-13)18(24)21-8-7-14-10-16(22-25-14)12-3-6-17(23)15(20)9-12/h1-6,9,14,23H,7-8,10H2,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298013 (5-(2,3-dimethoxyphenyl)-3-(3-(3-fluoro-4-methoxyph...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(n1)-c1cccc(OC)c1OC |t:10| Show InChI InChI=1S/C20H18FN3O5/c1-25-15-8-7-11(9-13(15)21)14-10-17(28-23-14)19-22-20(29-24-19)12-5-4-6-16(26-2)18(12)27-3/h4-9,17H,10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298019 (CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298018 (CHEMBL549864 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)(C)C(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50186426 (CHEMBL210858 | US10336721, ISO-1 | US10968198, ISO...) Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1 |c:7| Show InChI InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298010 (CHEMBL559258 | N-cyclohexyl-3-(3-(3-(3-fluoro-4-hy...) Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:9| Show InChI InChI=1S/C20H23FN4O4/c21-14-10-12(6-7-16(14)26)15-11-17(28-24-15)20-23-19(29-25-20)9-8-18(27)22-13-4-2-1-3-5-13/h6-7,10,13,17,26H,1-5,8-9,11H2,(H,22,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298018 (CHEMBL549864 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)(C)C(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-16(2,3)15(21)18-7-6-11-9-13(19-22-11)10-4-5-14(20)12(17)8-10/h4-5,8,11,20H,6-7,9H2,1-3H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298019 (CHEMBL556445 | N-(2-(3-(3-fluoro-4-hydroxyphenyl)-...) Show SMILES CC(C)CC(=O)NCCC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H21FN2O3/c1-10(2)7-16(21)18-6-5-12-9-14(19-22-12)11-3-4-15(20)13(17)8-11/h3-4,8,10,12,20H,5-7,9H2,1-2H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298022 (2-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxaz...) Show SMILES Oc1ccc(cc1F)C1=NOC(CN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C18H13FN2O4/c19-14-7-10(5-6-16(14)22)15-8-11(25-20-15)9-21-17(23)12-3-1-2-4-13(12)18(21)24/h1-7,11,22H,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298009 (CHEMBL559125 | N-cyclohexyl-3(3-(3-(3-fluoro-4-met...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:10| Show InChI InChI=1S/C21H25FN4O4/c1-28-17-8-7-13(11-15(17)22)16-12-18(29-25-16)21-24-20(30-26-21)10-9-19(27)23-14-5-3-2-4-6-14/h7-8,11,14,18H,2-6,9-10,12H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298013 (5-(2,3-dimethoxyphenyl)-3-(3-(3-fluoro-4-methoxyph...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(n1)-c1cccc(OC)c1OC |t:10| Show InChI InChI=1S/C20H18FN3O5/c1-25-15-8-7-11(9-13(15)21)14-10-17(28-23-14)19-22-20(29-24-19)12-5-4-6-16(26-2)18(12)27-3/h4-9,17H,10H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298022 (2-((3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisoxaz...) Show SMILES Oc1ccc(cc1F)C1=NOC(CN2C(=O)c3ccccc3C2=O)C1 |t:9| Show InChI InChI=1S/C18H13FN2O4/c19-14-7-10(5-6-16(14)22)15-8-11(25-20-15)9-21-17(23)12-3-1-2-4-13(12)18(21)24/h1-7,11,22H,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298027 (2-fluoro-4-(5((5-(trifluoromethyl)-1,2,4-oxadiazol...) Show SMILES Oc1ccc(cc1F)C1=NOC(Cc2noc(n2)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H9F4N3O3/c14-8-3-6(1-2-10(8)21)9-4-7(22-19-9)5-11-18-12(23-20-11)13(15,16)17/h1-3,7,21H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298020 (2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298011 (CHEMBL563301 | methyl 3-(3-(3(3-fluoro-4hydroxyphe...) Show SMILES COC(=O)CCc1nc(no1)C1CC(=NO1)c1ccc(O)c(F)c1 |c:14| Show InChI InChI=1S/C15H14FN3O5/c1-22-14(21)5-4-13-17-15(19-24-13)12-7-10(18-23-12)8-2-3-11(20)9(16)6-8/h2-3,6,12,20H,4-5,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298025 (1-(2-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCN2C(=O)CCC2=O)C1 |t:9| Show InChI InChI=1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298026 (3-((3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisoxaz...) Show SMILES COc1ccc(cc1F)C1=NOC(Cc2noc(n2)C(F)(F)F)C1 |t:10| Show InChI InChI=1S/C14H11F4N3O3/c1-22-11-3-2-7(4-9(11)15)10-5-8(23-20-10)6-12-19-13(24-21-12)14(16,17)18/h2-4,8H,5-6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298008 (3-(3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisox...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(O)=O)n1 |t:10| Show InChI InChI=1S/C15H14FN3O5/c1-22-11-3-2-8(6-9(11)16)10-7-12(23-18-10)15-17-13(24-19-15)4-5-14(20)21/h2-3,6,12H,4-5,7H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298007 (2-fluoro-4-(5-(5-(trifluoromethyl)-1,2,4-oxadiazol...) Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(n1)C(F)(F)F |t:9| Show InChI InChI=1S/C12H7F4N3O3/c13-6-3-5(1-2-8(6)20)7-4-9(21-18-7)10-17-11(22-19-10)12(14,15)16/h1-3,9,20H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298027 (2-fluoro-4-(5((5-(trifluoromethyl)-1,2,4-oxadiazol...) Show SMILES Oc1ccc(cc1F)C1=NOC(Cc2noc(n2)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H9F4N3O3/c14-8-3-6(1-2-10(8)21)9-4-7(22-19-9)5-11-18-12(23-20-11)13(15,16)17/h1-3,7,21H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298005 (2-fluoro-4-(5-(5-methyl-1,2,4-oxadiazol-3-yl)-4,5-...) Show SMILES Cc1nc(no1)C1CC(=NO1)c1ccc(O)c(F)c1 |c:9| Show InChI InChI=1S/C12H10FN3O3/c1-6-14-12(16-18-6)11-5-9(15-19-11)7-2-3-10(17)8(13)4-7/h2-4,11,17H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50186426 (CHEMBL210858 | US10336721, ISO-1 | US10968198, ISO...) Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1 |c:7| Show InChI InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298006 (3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisoxazo...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(n1)C(F)(F)F |t:10| Show InChI InChI=1S/C13H9F4N3O3/c1-21-9-3-2-6(4-7(9)14)8-5-10(22-19-8)11-18-12(23-20-11)13(15,16)17/h2-4,10H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298020 (2,2,2-trifluoro-N-(2-(3-(3-fluoro-4-hydroxyphenyl)...) Show SMILES Oc1ccc(cc1F)C1=NOC(CCNC(=O)C(F)(F)F)C1 |t:9| Show InChI InChI=1S/C13H12F4N2O3/c14-9-5-7(1-2-11(9)20)10-6-8(22-19-10)3-4-18-12(21)13(15,16)17/h1-2,5,8,20H,3-4,6H2,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298014 (3-(3-(3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydroisox...) Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(n1)-c1cccc(O)c1O |t:9| Show InChI InChI=1S/C17H12FN3O5/c18-10-6-8(4-5-12(10)22)11-7-14(25-20-11)16-19-17(26-21-16)9-2-1-3-13(23)15(9)24/h1-6,14,22-24H,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298011 (CHEMBL563301 | methyl 3-(3-(3(3-fluoro-4hydroxyphe...) Show SMILES COC(=O)CCc1nc(no1)C1CC(=NO1)c1ccc(O)c(F)c1 |c:14| Show InChI InChI=1S/C15H14FN3O5/c1-22-14(21)5-4-13-17-15(19-24-13)12-7-10(18-23-12)8-2-3-11(20)9(16)6-8/h2-3,6,12,20H,4-5,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298010 (CHEMBL559258 | N-cyclohexyl-3-(3-(3-(3-fluoro-4-hy...) Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(=O)NC2CCCCC2)n1 |t:9| Show InChI InChI=1S/C20H23FN4O4/c21-14-10-12(6-7-16(14)26)15-11-17(28-24-15)20-23-19(29-25-20)9-8-18(27)22-13-4-2-1-3-5-13/h6-7,10,13,17,26H,1-5,8-9,11H2,(H,22,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298008 (3-(3-(3-(3-fluoro-4-methoxyphenyl)-4,5-dihydroisox...) Show SMILES COc1ccc(cc1F)C1=NOC(C1)c1noc(CCC(O)=O)n1 |t:10| Show InChI InChI=1S/C15H14FN3O5/c1-22-11-3-2-8(6-9(11)16)10-7-12(23-18-10)15-17-13(24-19-15)4-5-14(20)21/h2-3,6,12H,4-5,7H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298007 (2-fluoro-4-(5-(5-(trifluoromethyl)-1,2,4-oxadiazol...) Show SMILES Oc1ccc(cc1F)C1=NOC(C1)c1noc(n1)C(F)(F)F |t:9| Show InChI InChI=1S/C12H7F4N3O3/c13-6-3-5(1-2-8(6)20)7-4-9(21-18-7)10-17-11(22-19-10)12(14,15)16/h1-3,9,20H,4H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50298005 (2-fluoro-4-(5-(5-methyl-1,2,4-oxadiazol-3-yl)-4,5-...) Show SMILES Cc1nc(no1)C1CC(=NO1)c1ccc(O)c(F)c1 |c:9| Show InChI InChI=1S/C12H10FN3O3/c1-6-14-12(16-18-6)11-5-9(15-19-11)7-2-3-10(17)8(13)4-7/h2-4,11,17H,5H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50186426 (CHEMBL210858 | US10336721, ISO-1 | US10968198, ISO...) Show SMILES COC(=O)CC1CC(=NO1)c1ccc(O)cc1 |c:7| Show InChI InChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Curated by ChEMBL					Assay Description Inhibition of dopachrome tautomerase activity of human recombinant MIF				Bioorg Med Chem Lett 19: 4773-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.052 BindingDB Entry DOI: 10.7270/Q2Z0387W
					More data for this Ligand-Target Pair				3D Structure (crystal)

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