Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 9809   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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 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))	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	US Patent	770	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))	BDBM403770 (US10336721, Example 29 | US10968198, Example 29) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2ccc(OCCOCCN3CCOCC3)cc2n1 Show InChI InChI=1S/C25H27N5O4/c31-21-5-3-20(4-6-21)30-18-25(27-28-30)23-8-2-19-1-7-22(17-24(19)26-23)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	PC cid PC sid UniChem	US Patent	850	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))	BDBM403768 (US10336721, Example 26 | US10968198, Example 26) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cccnc2n1 Show InChI InChI=1S/C16H11N5O/c22-13-6-4-12(5-7-13)21-10-15(19-20-21)14-8-3-11-2-1-9-17-16(11)18-14/h1-10,22H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.48E+3	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))	BDBM403761 (US10336721, Example 19 | US10968198, Example 19) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C24H25N5O3/c30-20-5-3-19(4-6-20)29-17-24(26-27-29)23-8-2-18-16-21(7-9-22(18)25-23)32-13-1-10-28-11-14-31-15-12-28/h2-9,16-17,30H,1,10-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.95E+3	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))	BDBM490114 (US10968198, Example 41) Show SMILES OC(=O)COc1ccc2ccc(nc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C19H13FN4O4/c20-14-7-12(3-6-18(14)25)24-9-17(22-23-24)15-5-2-11-1-4-13(8-16(11)21-15)28-10-19(26)27/h1-9,25H,10H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.24E+3	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))	BDBM403756 (US10336721, Example 12 | US10968198, Example 12) Show SMILES Cc1cc(nc2ccccc12)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C18H14N4O/c1-12-10-17(19-16-5-3-2-4-15(12)16)18-11-22(21-20-18)13-6-8-14(23)9-7-13/h2-11,23H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30E+3	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))	BDBM403772 (US10336721, Example 31 | US10968198, Example 31) Show SMILES COCCOc1ccc2nc(ncc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H17N5O3/c1-26-8-9-27-16-6-7-17-13(10-16)11-20-19(21-17)18-12-24(23-22-18)14-2-4-15(25)5-3-14/h2-7,10-12,25H,8-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.35E+3	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))	BDBM403759 (US10336721, Example 17 | US10968198, Example 17) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cccc(Oc3ccccc3)c2n1 Show InChI InChI=1S/C23H16N4O2/c28-18-12-10-17(11-13-18)27-15-21(25-26-27)20-14-9-16-5-4-8-22(23(16)24-20)29-19-6-2-1-3-7-19/h1-15,28H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.95E+3	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))	BDBM403762 (US10336721, Example 20 | US10968198, Example 20) Show SMILES Cc1cc2cc(OCCCN3CCOCC3)ccc2nc1-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C25H27N5O3/c1-18-15-19-16-22(33-12-2-9-29-10-13-32-14-11-29)7-8-23(19)26-25(18)24-17-30(28-27-24)20-3-5-21(31)6-4-20/h3-8,15-17,31H,2,9-14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.12E+3	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))	BDBM403774 (US10336721, Example 33 | US10968198, Example 33) Show SMILES Oc1c(F)cc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C25H25F2N5O4/c26-20-14-18(15-21(27)25(20)33)32-16-24(29-30-32)23-3-1-17-13-19(2-4-22(17)28-23)36-12-11-35-10-7-31-5-8-34-9-6-31/h1-4,13-16,33H,5-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.75E+3	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))	BDBM490108 (US10968198, Example 36) Show SMILES OC(=O)c1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(F)c(F)c2)c1 Show InChI InChI=1S/C24H14F2N4O3/c25-18-9-7-15(12-19(18)26)30-13-22(28-29-30)21-10-8-17-20(27-21)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13H,(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.93E+3	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))	BDBM403755 (US10336721, Example 11 | US10968198, Example 11) Show SMILES Cc1cc2ccccc2nc1-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C18H14N4O/c1-12-10-13-4-2-3-5-16(13)19-18(12)17-11-22(21-20-17)14-6-8-15(23)9-7-14/h2-11,23H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.30E+3	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))	BDBM403753 (US10336721, Example 3 | US10968198, Example 3) Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17FN4O2/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(22-18)20-13-25(24-23-20)16-5-3-15(21)4-6-16/h2-9,12-13H,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.90E+3	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))	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 US Patent	2.10E+4	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))	BDBM403765 (US10336721, Example 23 | US10968198, Example 23) Show SMILES Fc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1 Show InChI InChI=1S/C25H26FN5O3/c26-20-2-4-21(5-3-20)31-18-25(28-29-31)24-7-1-19-17-22(6-8-23(19)27-24)34-16-15-33-14-11-30-9-12-32-13-10-30/h1-8,17-18H,9-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.96E+4	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))	BDBM403757 (US10336721, Example 14 | US10968198, Example 14) Show SMILES COc1cccc2ccc(nc12)-c1cn(nn1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H13FN4O/c1-24-17-4-2-3-12-5-10-15(20-18(12)17)16-11-23(22-21-16)14-8-6-13(19)7-9-14/h2-11H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.60E+4	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))	BDBM403758 (US10336721, Example 15 | US10968198, Example 15) Show SMILES COCCOc1cccc2ccc(nc12)-c1cn(nn1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17FN4O2/c1-26-11-12-27-19-4-2-3-14-5-10-17(22-20(14)19)18-13-25(24-23-18)16-8-6-15(21)7-9-16/h2-10,13H,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.40E+4	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