Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'dziedzic' and Initial = 'p'   

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))	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 US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PCBioAssay	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206083 (CHEMBL3927658 | US10968198, Example 43) Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O4/c22-16-11-14(4-8-20(16)27)26-12-19(24-25-26)18-6-3-13-10-15(5-7-17(13)23-18)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403784 (US10336721, Example 43) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCCOC=O)ccc2n1 Show InChI InChI=1S/C21H17FN4O4/c22-17-11-15(3-7-21(17)28)26-12-20(24-25-26)19-5-2-14-10-16(4-6-18(14)23-19)30-9-1-8-29-13-27/h2-7,10-13,28H,1,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206083 (CHEMBL3927658 | US10968198, Example 43) Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O4/c22-16-11-14(4-8-20(16)27)26-12-19(24-25-26)18-6-3-13-10-15(5-7-17(13)23-18)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM490115 (US10968198, Example 42) Show SMILES OC(=O)CCCOc1ccc2ccc(nc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O4/c22-16-10-14(5-8-20(16)27)26-12-19(24-25-26)17-7-4-13-3-6-15(11-18(13)23-17)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403783 (US10336721, Example 42) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2ccc(OCCCOC=O)cc2n1 Show InChI InChI=1S/C21H17FN4O4/c22-17-10-15(4-7-21(17)28)26-12-20(24-25-26)18-6-3-14-2-5-16(11-19(14)23-18)30-9-1-8-29-13-27/h2-7,10-13,28H,1,8-9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403785 (US10336721, Example 44) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCOC=O)ccc2n1 Show InChI InChI=1S/C21H17FN4O5/c22-17-10-15(2-6-21(17)28)26-11-20(24-25-26)19-4-1-14-9-16(3-5-18(14)23-19)31-8-7-29-13-30-12-27/h1-6,9-12,28H,7-8,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206062 (CHEMBL3890541 | US10968198, Example 44) Show SMILES OC(=O)COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O5/c22-16-10-14(2-6-20(16)27)26-11-19(24-25-26)18-4-1-13-9-15(3-5-17(13)23-18)31-8-7-30-12-21(28)29/h1-6,9-11,27H,7-8,12H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206084 (CHEMBL3899123) Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C19H13FN4O4/c20-14-8-12(2-6-18(14)25)24-9-17(22-23-24)16-4-1-11-7-13(28-10-19(26)27)3-5-15(11)21-16/h1-9,25H,10H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206030 (CHEMBL3957289 | US10336721, Example 22 | US1096819...) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C25H26FN5O4/c26-21-16-19(2-6-25(21)32)31-17-24(28-29-31)23-4-1-18-15-20(3-5-22(18)27-23)35-14-13-34-12-9-30-7-10-33-11-8-30/h1-6,15-17,32H,7-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	74	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50280114 (CHEMBL4160035) Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	75	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206091 (CHEMBL3918231 | US10336721, Example 25 | US1096819...) Show SMILES COCCOc1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1 Show InChI InChI=1S/C26H21FN4O4/c1-33-12-13-34-18-4-2-5-19(15-18)35-26-7-3-6-22-20(26)9-10-23(28-22)24-16-31(30-29-24)17-8-11-25(32)21(27)14-17/h2-11,14-16,32H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206091 (CHEMBL3918231 | US10336721, Example 25 | US1096819...) Show SMILES COCCOc1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1 Show InChI InChI=1S/C26H21FN4O4/c1-33-12-13-34-18-4-2-5-19(15-18)35-26-7-3-6-22-20(26)9-10-23(28-22)24-16-31(30-29-24)17-8-11-25(32)21(27)14-17/h2-11,14-16,32H,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50280113 (CHEMBL4170679) Show SMILES OC(=O)Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C18H12FN5O4/c19-12-7-11(2-4-15(12)25)24-8-14(21-22-24)13-3-1-10-5-6-23(9-16(26)27)18(28)17(10)20-13/h1-8,25H,9H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	90	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403776 (US10336721, Example 35 | US10968198, Example 35) Show SMILES OC(=O)c1ccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)cc1 Show InChI InChI=1S/C24H15FN4O4/c25-18-12-15(6-11-22(18)30)29-13-21(27-28-29)20-10-9-17-19(26-20)2-1-3-23(17)33-16-7-4-14(5-8-16)24(31)32/h1-13,30H,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403776 (US10336721, Example 35 | US10968198, Example 35) Show SMILES OC(=O)c1ccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)cc1 Show InChI InChI=1S/C24H15FN4O4/c25-18-12-15(6-11-22(18)30)29-13-21(27-28-29)20-10-9-17-19(26-20)2-1-3-23(17)33-16-7-4-14(5-8-16)24(31)32/h1-13,30H,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM490113 (US10968198, Example 40) Show SMILES OC(=O)c1cccc(Oc2cccc3ccc(nc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1 Show InChI InChI=1S/C24H15FN4O4/c25-18-12-16(8-10-21(18)30)29-13-20(27-28-29)19-9-7-14-3-2-6-22(23(14)26-19)33-17-5-1-4-15(11-17)24(31)32/h1-13,30H,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403781 (US10336721, Example 40) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cccc(Oc3cccc(OC=O)c3)c2n1 Show InChI InChI=1S/C24H15FN4O4/c25-19-11-16(8-10-22(19)31)29-13-21(27-28-29)20-9-7-15-3-1-6-23(24(15)26-20)33-18-5-2-4-17(12-18)32-14-30/h1-14,31H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403779 (US10336721, Example 38 | US10968198, Example 38) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2c(Oc3cccc(OCCOCCN4CCOCC4)c3)cccc2n1 Show InChI InChI=1S/C31H30FN5O5/c32-26-19-22(7-10-30(26)38)37-21-29(34-35-37)28-9-8-25-27(33-28)5-2-6-31(25)42-24-4-1-3-23(20-24)41-18-17-40-16-13-36-11-14-39-15-12-36/h1-10,19-21,38H,11-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403779 (US10336721, Example 38 | US10968198, Example 38) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2c(Oc3cccc(OCCOCCN4CCOCC4)c3)cccc2n1 Show InChI InChI=1S/C31H30FN5O5/c32-26-19-22(7-10-30(26)38)37-21-29(34-35-37)28-9-8-25-27(33-28)5-2-6-31(25)42-24-4-1-3-23(20-24)41-18-17-40-16-13-36-11-14-39-15-12-36/h1-10,19-21,38H,11-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206094 (CHEMBL3960793) Show SMILES OC(=O)C(F)(F)F.NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H20FN5O3/c22-17-12-15(2-6-21(17)28)27-13-20(25-26-27)19-4-1-14-11-16(3-5-18(14)24-19)30-10-9-29-8-7-23/h1-6,11-13,28H,7-10,23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206030 (CHEMBL3957289 | US10336721, Example 22 | US1096819...) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C25H26FN5O4/c26-21-16-19(2-6-25(21)32)31-17-24(28-29-31)23-4-1-18-15-20(3-5-22(18)27-23)35-14-13-34-12-9-30-7-10-33-11-8-30/h1-6,15-17,32H,7-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	US Patent	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206030 (CHEMBL3957289 | US10336721, Example 22 | US1096819...) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C25H26FN5O4/c26-21-16-19(2-6-25(21)32)31-17-24(28-29-31)23-4-1-18-15-20(3-5-22(18)27-23)35-14-13-34-12-9-30-7-10-33-11-8-30/h1-6,15-17,32H,7-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PCBioAssay	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					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	160	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206085 (CHEMBL3924400) Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H14N4O4/c24-14-4-2-13(3-5-14)23-10-18(21-22-23)17-7-1-12-9-15(27-11-19(25)26)6-8-16(12)20-17/h1-10,24H,11H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206061 (CHEMBL3953102 | US10336721, Example 1 | US10968198...) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C17H12N4O/c22-14-8-6-13(7-9-14)21-11-17(19-20-21)16-10-5-12-3-1-2-4-15(12)18-16/h1-11,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	230	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206087 (CHEMBL3897449) Show SMILES OC(=O)C(F)(F)F.NCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H17N5O2/c20-9-10-26-16-6-8-17-13(11-16)1-7-18(21-17)19-12-24(23-22-19)14-2-4-15(25)5-3-14/h1-8,11-12,25H,9-10,20H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403771 (US10336721, Example 30 | US10968198, Example 30) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2ccc(OCCOCCN3CCOCC3)cc2n1 Show InChI InChI=1S/C25H26FN5O4/c26-21-15-19(3-6-25(21)32)31-17-24(28-29-31)22-5-2-18-1-4-20(16-23(18)27-22)35-14-13-34-12-9-30-7-10-33-11-8-30/h1-6,15-17,32H,7-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403771 (US10336721, Example 30 | US10968198, Example 30) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2ccc(OCCOCCN3CCOCC3)cc2n1 Show InChI InChI=1S/C25H26FN5O4/c26-21-15-19(3-6-25(21)32)31-17-24(28-29-31)22-5-2-18-1-4-20(16-23(18)27-22)35-14-13-34-12-9-30-7-10-33-11-8-30/h1-6,15-17,32H,7-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM490112 (US10968198, Example 39) Show SMILES OC(=O)c1ccc(Oc2cccc3ccc(nc23)-c2cn(nn2)-c2ccc(O)c(F)c2)cc1 Show InChI InChI=1S/C24H15FN4O4/c25-18-12-16(7-11-21(18)30)29-13-20(27-28-29)19-10-6-14-2-1-3-22(23(14)26-19)33-17-8-4-15(5-9-17)24(31)32/h1-13,30H,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403780 (US10336721, Example 39) Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cccc(Oc3ccc(OC=O)cc3)c2n1 Show InChI InChI=1S/C24H15FN4O4/c25-19-12-16(5-11-22(19)31)29-13-21(27-28-29)20-10-4-15-2-1-3-23(24(15)26-20)33-18-8-6-17(7-9-18)32-14-30/h1-14,31H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403775 (US10336721, Example 34) Show SMILES C#Cc1ccc2cc(OCCOCCNC(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2n1 Show InChI InChI=1S/C34H30N2O2/c1-2-31-19-18-27-26-32(20-21-33(27)36-31)38-25-24-37-23-22-35-34(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h1,3-21,26,35H,22-25H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM490105 (US10968198, Example 34) Show SMILES NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H20FN5O3/c22-17-12-15(2-6-21(17)28)27-13-20(25-26-27)19-4-1-14-11-16(3-5-18(14)24-19)30-10-9-29-8-7-23/h1-6,11-13,28H,7-10,23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403766 (US10336721, Example 24 | US10968198, Example 24) Show SMILES COCCOc1ccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C26H22N4O4/c1-32-15-16-33-20-9-11-21(12-10-20)34-26-4-2-3-23-22(26)13-14-24(27-23)25-17-30(29-28-25)18-5-7-19(31)8-6-18/h2-14,17,31H,15-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403766 (US10336721, Example 24 | US10968198, Example 24) Show SMILES COCCOc1ccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)cc2)cc1 Show InChI InChI=1S/C26H22N4O4/c1-32-15-16-33-20-9-11-21(12-10-20)34-26-4-2-3-23-22(26)13-14-24(27-23)25-17-30(29-28-25)18-5-7-19(31)8-6-18/h2-14,17,31H,15-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206090 (CHEMBL3915405) Show SMILES OC(=O)C(F)(F)F.NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H21N5O3/c22-9-10-28-11-12-29-18-6-8-19-15(13-18)1-7-20(23-19)21-14-26(25-24-21)16-2-4-17(27)5-3-16/h1-8,13-14,27H,9-12,22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50280115 (CHEMBL4169208) Show SMILES Cn1ccc2ccc(nc2c1=O)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	363	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403760 (US10336721, Example 18 | US10968198, Example 18) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2c(Oc3ccccc3)cccc2n1 Show InChI InChI=1S/C23H16N4O2/c28-17-11-9-16(10-12-17)27-15-22(25-26-27)21-14-13-19-20(24-21)7-4-8-23(19)29-18-5-2-1-3-6-18/h1-15,28H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403760 (US10336721, Example 18 | US10968198, Example 18) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2c(Oc3ccccc3)cccc2n1 Show InChI InChI=1S/C23H16N4O2/c28-17-11-9-16(10-12-17)27-15-22(25-26-27)21-14-13-19-20(24-21)7-4-8-23(19)29-18-5-2-1-3-6-18/h1-15,28H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					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	US Patent	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					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	PCBioAssay	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206093 (CHEMBL3925522) Show SMILES OCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H16N4O3/c24-9-10-26-16-6-8-17-13(11-16)1-7-18(20-17)19-12-23(22-21-19)14-2-4-15(25)5-3-14/h1-8,11-12,24-25H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	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 assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403778 (US10336721, Example 37 | US10968198, Example 37) Show SMILES NCc1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1 Show InChI InChI=1S/C24H18FN5O2/c25-19-12-16(7-10-23(19)31)30-14-22(28-29-30)21-9-8-18-20(27-21)5-2-6-24(18)32-17-4-1-3-15(11-17)13-26/h1-12,14,31H,13,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	568	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403778 (US10336721, Example 37 | US10968198, Example 37) Show SMILES NCc1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1 Show InChI InChI=1S/C24H18FN5O2/c25-19-12-16(7-10-23(19)31)30-14-22(28-29-30)21-9-8-18-20(27-21)5-2-6-24(18)32-17-4-1-3-15(11-17)13-26/h1-12,14,31H,13,26H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	568	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					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 PCBioAssay	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 US Patent	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206061 (CHEMBL3953102 | US10336721, Example 1 | US10968198...) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C17H12N4O/c22-14-8-6-13(7-9-14)21-11-17(19-20-21)16-10-5-12-3-1-2-4-15(12)18-16/h1-11,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021) BindingDB Entry DOI: 10.7270/Q2DJ5JR7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206061 (CHEMBL3953102 | US10336721, Example 1 | US10968198...) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C17H12N4O/c22-14-8-6-13(7-9-14)21-11-17(19-20-21)16-10-5-12-3-1-2-4-15(12)18-16/h1-11,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PCBioAssay	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM403769 (US10336721, Example 28 | US10968198, Example 28) Show SMILES NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C21H21N5O3/c22-9-10-28-11-12-29-18-6-8-19-15(13-18)1-7-20(23-19)21-14-26(25-24-21)16-2-4-17(27)5-3-16/h1-8,13-14,27H,9-12,22H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Inhibition of the tautomerase activity of MIF was measured using 4-hydroxyphenyl pyruvic acid (HPP) as substrate, largely following previously report...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2RR1WNP
					More data for this Ligand-Target Pair

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