BDBM50095997 3',4',7-trihydroxyisoflavone::CHEMBL13486

SMILES: Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O

InChI Key: InChIKey=DDKGKOOLFLYZDL-UHFFFAOYSA-N

Data: 3 KI  6 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50095997   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Macrophage migration inhibitory factor (MIF) (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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (MIF) (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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (MIF) (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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (MIF) (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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosinase (Mus musculus (Mouse))	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	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation Curated by ChEMBL					Assay Description Inhibition of tyrosinase in mouse Melan-a cells by ELISA				Bioorg Med Chem Lett 20: 1162-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.021 BindingDB Entry DOI: 10.7270/Q2M045JZ
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) assessed as decrease of uric acid generation				Bioorg Med Chem Lett 18: 5006-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.016 BindingDB Entry DOI: 10.7270/Q2QF8SQK
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
AmorePacific Corporation Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase (unknown origin) assessed as decrease of superoxide generation				Bioorg Med Chem Lett 18: 5006-9 (2008) Article DOI: 10.1016/j.bmcl.2008.08.016 BindingDB Entry DOI: 10.7270/Q2QF8SQK
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toyama Curated by ChEMBL					Assay Description Displacement of ANS from DAPK1 catalytic domain (1 to 285) (unknown origin) after 30 mins by fluorescence assay				J Med Chem 58: 7400-8 (2015) BindingDB Entry DOI: 10.7270/Q21838BM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage migration inhibitory factor (MIF) (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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB 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) BindingDB Entry DOI: 10.7270/Q24X59PR
					More data for this Ligand-Target Pair				3D Structure (crystal)