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PDB code 3L5R

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Macrophage migration inhibitory factor (MIF)

  (114/114 = 100%)
(Homo sapiens (Human))
BDBM50095997
PNG
(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
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CHEMBL
KEGG
MMDB
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PC sid
PDB
UniChem

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MMDB
PDB
Article
PubMed
38n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm000386o
BindingDB Entry DOI: 10.7270/Q2W66MGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)

  (114/114 = 100%)
(Homo sapiens (Human))
BDBM50095997
PNG
(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
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
38n/an/an/an/an/an/an/an/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
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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