Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50047443   

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))	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	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50167985 (CHEMBL3798384 | US10336721, Example 21 | US1096819...) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					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	550	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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50167987 (CHEMBL3799453) Show SMILES Oc1ccc(\C=N\OC(=O)c2cccnc2)cc1F Show InChI InChI=1S/C13H9FN2O3/c14-11-6-9(3-4-12(11)17)7-16-19-13(18)10-2-1-5-15-8-10/h1-8,17H/b16-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50013032 (CHEMBL1604170) Show SMILES OC(=O)c1cccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C21H16N2O3S/c24-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)23-21(27)22-18-8-4-7-17(13-18)20(25)26/h1-13H,(H,25,26)(H2,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50349073 (CHEMBL1807864) Show SMILES COc1ccc2c(c1)sn(-c1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C14H10ClNO2S/c1-18-11-6-7-12-13(8-11)19-16(14(12)17)10-4-2-9(15)3-5-10/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50349068 (CHEMBL1807940) Show SMILES Oc1ccc2c(c1)sn(-c1ccc(Cl)cc1)c2=O Show InChI InChI=1S/C13H8ClNO2S/c14-8-1-3-9(4-2-8)15-13(17)11-6-5-10(16)7-12(11)18-15/h1-7,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50013033 (CHEMBL3261381) Show SMILES COc1cc(cc(Br)c1OCC(O)=O)-c1nc2ccccc2s1 Show InChI InChI=1S/C16H12BrNO4S/c1-21-12-7-9(6-10(17)15(12)22-8-14(19)20)16-18-11-4-2-3-5-13(11)23-16/h2-7H,8H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.09E+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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
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	1.50E+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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50167988 (CHEMBL3798703) Show SMILES COC(=O)[C@H]1CC(=NO1)c1ccc(O)cc1 |r,c:6| Show InChI InChI=1S/C11H11NO4/c1-15-11(14)10-6-9(12-16-10)7-2-4-8(13)5-3-7/h2-5,10,13H,6H2,1H3/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM53132 (4-(2-imidazo[1,2-a]pyridinyl)benzene-1,2-diol | 4-...) Show SMILES Oc1ccc(cc1O)-c1cn2ccccc2n1 Show InChI InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-15-6-2-1-3-13(15)14-10/h1-8,16-17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.66E+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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50013041 (CHEMBL3261385) Show SMILES COc1ccc(cc1NC(=S)NC(=O)c1cc2ccccc2o1)C(O)=O Show InChI InChI=1S/C18H14N2O5S/c1-24-14-7-6-11(17(22)23)8-12(14)19-18(26)20-16(21)15-9-10-4-2-3-5-13(10)25-15/h2-9H,1H3,(H,22,23)(H2,19,20,21,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50167982 (CHEMBL3797982) Show SMILES Oc1ccc(cc1O)-c1cnc2ccccn12 Show InChI InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-14-13-3-1-2-6-15(10)13/h1-8,16-17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.52E+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 tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate assessed as bo...				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
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 human MIF tautomerase activity expressed in Escherichia coli BL21 (DE3) using 4-hydroxyphenyl pyruvic acid as substrate				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50167982 (CHEMBL3797982) Show SMILES Oc1ccc(cc1O)-c1cnc2ccccn12 Show InChI InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-14-13-3-1-2-6-15(10)13/h1-8,16-17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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 dopachrome as substrate				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					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	360	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Covalent inhibition of MIF (unknown origin) tautomerase activity using 4-hydroxyphenyl pyruvic acid as substrate				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50167987 (CHEMBL3799453) Show SMILES Oc1ccc(\C=N\OC(=O)c2cccnc2)cc1F Show InChI InChI=1S/C13H9FN2O3/c14-11-6-9(3-4-12(11)17)7-16-19-13(18)10-2-1-5-15-8-10/h1-8,17H/b16-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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 dopachrome as substrate				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					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	570	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Covalent inhibition of human MIF tautomerase activity expressed in Escherichia coli BL21 (DE3) using 4-hydroxyphenyl pyruvic acid as substrate				Bioorg Med Chem Lett 26: 2764-2767 (2016) Article DOI: 10.1016/j.bmcl.2016.04.074 BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair