Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'mercado' and Initial = 'bq'   

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 Article PubMed	14	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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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	Article PubMed	24	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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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	Article PubMed	37	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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206089 (CHEMBL3906441) Show SMILES COCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1 Show InChI InChI=1S/C22H22N4O4/c1-28-10-11-29-12-13-30-19-7-9-20-16(14-19)2-8-21(23-20)22-15-26(25-24-22)17-3-5-18(27)6-4-17/h2-9,14-15,27H,10-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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	161	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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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	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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206086 (CHEMBL3943378) Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCC3CCCCO3)ccc2n1 Show InChI InChI=1S/C23H22N4O3/c28-18-7-5-17(6-8-18)27-14-23(25-26-27)22-10-4-16-13-19(9-11-21(16)24-22)30-15-20-3-1-2-12-29-20/h4-11,13-14,20,28H,1-3,12,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					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 borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Homo sapiens (Human))	BDBM50206088 (CHEMBL3945050) Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C19H14N4O3/c24-19(25)12-26-15-7-9-16-13(10-15)6-8-17(20-16)18-11-23(22-21-18)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					More data for this Ligand-Target Pair
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	2.73E+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 assessed as borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					More data for this Ligand-Target Pair
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	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to human MIF by fluorescence polarization assay				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					More data for this Ligand-Target Pair