Affinity Data by PDB ID

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PDB code 3L5R

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Macrophage migration inhibitory factor (114/114 = 100%)^† (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone \| CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI	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	38	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 human recombinant MIF tautomerase				J Med Chem 52: 416-24 (2009) Article DOI: 10.1021/jm801100v BindingDB Entry DOI: 10.7270/Q208656D
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (114/114 = 100%)^† (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone \| CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI	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 PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)				J Med Chem 44: 540-7 (2001) BindingDB Entry DOI: 10.7270/Q2W66MGR
Yamanouchi Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (114/114 = 100%)^† (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone \| CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI	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
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (114/114 = 100%)^† (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone \| CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI	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
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (114/114 = 100%)^† (Homo sapiens (Human))	BDBM50095997 (3',4',7-trihydroxyisoflavone \| CHEMBL13486) Show SMILES Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged MIF tautomerization expressed in Escherichia coli BL21 (DE3) using D-dopachrome as substrate after 10 mins...				J Med Chem 61: 8104-8119 (2018) Article DOI: 10.1021/acs.jmedchem.8b00589 BindingDB Entry DOI: 10.7270/Q2KS6V5P
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output