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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50044323   
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


(Homo sapiens (Human))
BDBM50013032
PNG
(CHEMBL1604170)
Show SMILES OC(=O)c1cccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C21H16N2O3S/c24-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)23-21(27)22-18-8-4-7-17(13-18)20(25)26/h1-13H,(H,25,26)(H2,22,23,24,27)
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Similars

Article
PubMed
348n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incub...


J Med Chem 57: 3737-45 (2014)


Article DOI: 10.1021/jm401908w
BindingDB Entry DOI: 10.7270/Q2QN68BR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50013033
PNG
(CHEMBL3261381)
Show SMILES COc1cc(cc(Br)c1OCC(O)=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C16H12BrNO4S/c1-21-12-7-9(6-10(17)15(12)22-8-14(19)20)16-18-11-4-2-3-5-13(11)23-16/h2-7H,8H2,1H3,(H,19,20)
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UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
4.52E+3n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incub...


J Med Chem 57: 3737-45 (2014)


Article DOI: 10.1021/jm401908w
BindingDB Entry DOI: 10.7270/Q2QN68BR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))
BDBM50013041
PNG
(CHEMBL3261385)
Show SMILES COc1ccc(cc1NC(=S)NC(=O)c1cc2ccccc2o1)C(O)=O
Show InChI InChI=1S/C18H14N2O5S/c1-24-14-7-6-11(17(22)23)8-12(14)19-18(26)20-16(21)15-9-10-4-2-3-5-13(10)25-15/h2-9H,1H3,(H,22,23)(H2,19,20,21,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.14E+3n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using L-dopachrome methyl ester as substrate incub...


J Med Chem 57: 3737-45 (2014)


Article DOI: 10.1021/jm401908w
BindingDB Entry DOI: 10.7270/Q2QN68BR
More data for this
Ligand-Target Pair