Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50002443   

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
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458538 (CHEMBL4208992) Show SMILES Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3cc(NC(=S)NCCCCCNC(=O)CCCOc4ccc5nc(ccc5c4)-c4cn(nn4)-c4ccc(O)c(F)c4)ccc23)c1 Show InChI InChI=1S/C47H40FN7O8S/c48-37-23-29(8-17-41(37)58)55-26-40(53-54-55)39-15-6-27-21-32(11-16-38(27)52-39)61-20-4-5-44(59)49-18-2-1-3-19-50-46(64)51-28-7-12-34-33(22-28)45(60)63-47(34)35-13-9-30(56)24-42(35)62-43-25-31(57)10-14-36(43)47/h6-17,21-26,56-58H,1-5,18-20H2,(H,49,59)(H2,50,51,64)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 30 mins followed by substrate addition				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206092 (CHEMBL3917143 | US10336721, Example 32 | US1096819...) Show SMILES OC(=O)c1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1 Show InChI InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 30 mins followed by substrate addition				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458543 (CHEMBL4208079) Show SMILES OC(=O)c1cc(ccc1Oc1cccc(c1)-c1ccc(OCCCN2CCOCC2)cc1)-c1c[nH]nc1F Show InChI InChI=1S/C29H28FN3O5/c30-28-26(19-31-32-28)22-7-10-27(25(18-22)29(34)35)38-24-4-1-3-21(17-24)20-5-8-23(9-6-20)37-14-2-11-33-12-15-36-16-13-33/h1,3-10,17-19H,2,11-16H2,(H,31,32)(H,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 20 mins followed by substrate addition meas...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458542 (CHEMBL4218738) Show SMILES OC(=O)c1cc(ccc1Oc1ccc2ccccc2c1)-c1c[nH]nc1F Show InChI InChI=1S/C20H13FN2O3/c21-19-17(11-22-23-19)14-6-8-18(16(10-14)20(24)25)26-15-7-5-12-3-1-2-4-13(12)9-15/h1-11H,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 20 mins followed by substrate addition meas...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed b...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92515 (RDR 03785, 11) Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed b...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50167986 (CHEMBL3798149 | US10336721, Example 2 | US10968198...) Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 30 mins followed by substrate addition				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458536 (CHEMBL4211781) Show SMILES [O-][N+](=O)c1csc(c1)C(=O)NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C12H8ClN3O3S2/c13-8-3-1-2-4-9(8)14-12(20)15-11(17)10-5-7(6-21-10)16(18)19/h1-6H,(H2,14,15,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed b...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM31712 (HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...) Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed b...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458540 (CHEMBL4204890) Show SMILES CC(C)CC(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C15H20N2O/c1-10(2)9-13(18)14-12-7-5-6-8-17(12)16-15(14)11(3)4/h5-8,10-11H,9H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF using HPP as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458546 (CHEMBL1288318) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1cccnc1 Show InChI InChI=1S/C13H10N4O/c18-12-5-3-11(4-6-12)17-9-13(15-16-17)10-2-1-7-14-8-10/h1-9,18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 30 mins followed by substrate addition				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458541 (CHEMBL4214963) Show SMILES OC(=O)c1cccc(c1)-c1cn[nH]c1 Show InChI InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli using HPP as substrate preincubated for 20 mins followed by substrate addition meas...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone | CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged MIF tautomerization expressed in Escherichia coli BL21 (DE3) using D-dopachrome as substrate after 10 mins...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458547 (CHEMBL4203719) Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C20H16N2O2S/c23-18-12-10-17(11-13-18)21-20(25)22-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,23H,(H2,21,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of MIF (unknown origin) tautomerase activity using dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50240520 ((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...) Show SMILES S=C=NCc1ccccc1 Show InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using L-dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458539 (CHICAGO SKY BLUE SODIUM | Chicago Sky Blue | Chica...) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#6]-[#8]-c1cc(ccc1\[#7]=[#7]\c1ccc2c(cc(c(-[#7])c2c1-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)-c1ccc(\[#7]=[#7]\c2ccc3c(cc(c(-[#7])c3c2-[#8])S([#8-])(=O)=O)S([#8-])(=O)=O)c(-[#8]-[#6])c1 Show InChI InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4/b39-37+,40-38+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition recombinant human biotin-labeled MIF binding to recombinant human soluble CD47 receptor (73 to 232 residues) preincubated for 30 mins				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50186444 (CHEMBL211882 | neopentyl 2-(3-(3-fluoro-4-hydroxyp...) Show SMILES CC(C)(C)COC(=O)CC1CC(=NO1)c1ccc(O)c(F)c1 |c:11| Show InChI InChI=1S/C16H20FNO4/c1-16(2,3)9-21-15(20)8-11-7-13(18-22-11)10-4-5-14(19)12(17)6-10/h4-6,11,19H,7-9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity using L-dopachrome methyl ester as substrate measured for 20 secs				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50373155 (CHEMBL253951) Show SMILES Oc1ccc(C=NOC(=O)C2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant MIF (unknown origin) tautomerase activity using dopachrome methyl ester as substrate measured for 20 secs				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458545 (CHEMBL4216461) Show SMILES CC(=O)CC1CC(=NO1)c1ccc(O)c(F)c1 |c:6| Show InChI InChI=1S/C12H12FNO3/c1-7(15)4-9-6-11(14-17-9)8-2-3-12(16)10(13)5-8/h2-3,5,9,16H,4,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant MIF (unknown origin) tautomerase activity using dopachrome methyl ester as substrate measured for 2 to 20 secs by spectroph...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50373155 (CHEMBL253951) Show SMILES Oc1ccc(C=NOC(=O)C2CCCCC2)cc1 |w:5.4| Show InChI InChI=1S/C14H17NO3/c16-13-8-6-11(7-9-13)10-15-18-14(17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity using L-dopachrome methyl ester as substrate measured for 20 secs				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92515 (RDR 03785, 11) Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM31712 (HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...) Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92515 (RDR 03785, 11) Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length MIF expressed in Escherichia coli BL21(DE3) after 1 hr				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM92409 (Epoxyazadiradione) Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1 |c:12| Show InChI InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458537 (Iguratimod) Show SMILES CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1 Show InChI InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity using L-dopachrome methyl ester as substrate measured for 20 secs				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					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	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant MIF (unknown origin) tautomerase activity using dopachrome methyl ester as substrate measured for 2 to 20 secs by spectroph...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458536 (CHEMBL4211781) Show SMILES [O-][N+](=O)c1csc(c1)C(=O)NC(=S)Nc1ccccc1Cl Show InChI InChI=1S/C12H8ClN3O3S2/c13-8-3-1-2-4-9(8)14-12(20)15-11(17)10-5-7(6-21-10)16(18)19/h1-6H,(H2,14,15,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM398048 (US10322118, Entry 6) Show SMILES NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O Show InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using L-dopa as substrate				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					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	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF (Pro2 to Ala115 residues) expressed in Escherichia coli using dopachrome methyl ester as substrate preincubated w...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458544 (CHEBI:29132 | CHEMBL33232) Show SMILES [#6]-[#6](=O)\[#7]=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1 |c:5,9| Show InChI InChI=1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity after 5 to 20 mins in presence of BSA by dopachrome tautomerase assay				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50458540 (CHEMBL4204890) Show SMILES CC(C)CC(=O)c1c(nn2ccccc12)C(C)C Show InChI InChI=1S/C15H20N2O/c1-10(2)9-13(18)14-12-7-5-6-8-17(12)16-15(14)11(3)4/h5-8,10-11H,9H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.51E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to human MIF by Trp based fluorescent spectroscopy				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
					More data for this Ligand-Target Pair