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Compile Data Set for Download or QSAR

Found 23 hits from Brain Mind Institute   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326574
PNG
(6-phenylpyridazin-3-yl thiophene-2-carboxylate | C...)
Show SMILES O=C(Oc1ccc(nn1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H
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n/an/a 50n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326574
PNG
(6-phenylpyridazin-3-yl thiophene-2-carboxylate | C...)
Show SMILES O=C(Oc1ccc(nn1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C15H10N2O2S/c18-15(13-7-4-10-20-13)19-14-9-8-12(16-17-14)11-5-2-1-3-6-11/h1-10H
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Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM33627
PNG
((1,3-benzoxazol-2-ylthio)formic acid butyl ester |...)
Show SMILES CCCCOC(=O)Sc1nc2ccccc2o1
Show InChI InChI=1S/C12H13NO3S/c1-2-3-8-15-12(14)17-11-13-9-6-4-5-7-10(9)16-11/h4-7H,2-3,8H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM33627
PNG
((1,3-benzoxazol-2-ylthio)formic acid butyl ester |...)
Show SMILES CCCCOC(=O)Sc1nc2ccccc2o1
Show InChI InChI=1S/C12H13NO3S/c1-2-3-8-15-12(14)17-11-13-9-6-4-5-7-10(9)16-11/h4-7H,2-3,8H2,1H3
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n/an/a 150n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326573
PNG
(1-Phenyl-3-(2-thiazolyl)-2-thiourea | 1-phenyl-3-(...)
Show SMILES S=C(Nc1nncs1)Nc1ccccc1
Show InChI InChI=1S/C9H8N4S2/c14-8(12-9-13-10-6-15-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
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n/an/a 300n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326573
PNG
(1-Phenyl-3-(2-thiazolyl)-2-thiourea | 1-phenyl-3-(...)
Show SMILES S=C(Nc1nncs1)Nc1ccccc1
Show InChI InChI=1S/C9H8N4S2/c14-8(12-9-13-10-6-15-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
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n/an/a 420n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM47541
PNG
(1-(2-chlorophenyl)-3-(2-pyridinyl)thiourea | 1-(2-...)
Show SMILES Clc1ccccc1NC(=S)Nc1ccccn1
Show InChI InChI=1S/C12H10ClN3S/c13-9-5-1-2-6-10(9)15-12(17)16-11-7-3-4-8-14-11/h1-8H,(H2,14,15,16,17)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM47541
PNG
(1-(2-chlorophenyl)-3-(2-pyridinyl)thiourea | 1-(2-...)
Show SMILES Clc1ccccc1NC(=S)Nc1ccccn1
Show InChI InChI=1S/C12H10ClN3S/c13-9-5-1-2-6-10(9)15-12(17)16-11-7-3-4-8-14-11/h1-8H,(H2,14,15,16,17)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326572
PNG
(CHEMBL1253383 | N-(2-bromobenzoyloxy)-4-chlorobenz...)
Show SMILES Clc1ccc(cc1)C(=O)NOC(=O)c1ccccc1Br
Show InChI InChI=1S/C14H9BrClNO3/c15-12-4-2-1-3-11(12)14(19)20-17-13(18)9-5-7-10(16)8-6-9/h1-8H,(H,17,18)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326572
PNG
(CHEMBL1253383 | N-(2-bromobenzoyloxy)-4-chlorobenz...)
Show SMILES Clc1ccc(cc1)C(=O)NOC(=O)c1ccccc1Br
Show InChI InChI=1S/C14H9BrClNO3/c15-12-4-2-1-3-11(12)14(19)20-17-13(18)9-5-7-10(16)8-6-9/h1-8H,(H,17,18)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326570
PNG
((1H-benzo[d][1,2,3]triazol-1-yl)(2-methoxyphenyl)m...)
Show SMILES COc1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C14H11N3O2/c1-19-13-9-5-2-6-10(13)14(18)17-12-8-4-3-7-11(12)15-16-17/h2-9H,1H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326571
PNG
(5-(2-nitro-4-(trifluoromethylsulfonyl)phenylthio)-...)
Show SMILES [O-][N+](=O)c1cc(ccc1Sc1nnc(S)s1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C9H4F3N3O4S4/c10-9(11,12)23(18,19)4-1-2-6(5(3-4)15(16)17)21-8-14-13-7(20)22-8/h1-3H,(H,13,20)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326570
PNG
((1H-benzo[d][1,2,3]triazol-1-yl)(2-methoxyphenyl)m...)
Show SMILES COc1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C14H11N3O2/c1-19-13-9-5-2-6-10(13)14(18)17-12-8-4-3-7-11(12)15-16-17/h2-9H,1H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326569
PNG
(CHEMBL1253492 | methyl 2-(4-methyl-5-(thiophen-2-y...)
Show SMILES COC(=O)CSc1nnc(-c2cccs2)n1C
Show InChI InChI=1S/C10H11N3O2S2/c1-13-9(7-4-3-5-16-7)11-12-10(13)17-6-8(14)15-2/h3-5H,6H2,1-2H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326569
PNG
(CHEMBL1253492 | methyl 2-(4-methyl-5-(thiophen-2-y...)
Show SMILES COC(=O)CSc1nnc(-c2cccs2)n1C
Show InChI InChI=1S/C10H11N3O2S2/c1-13-9(7-4-3-5-16-7)11-12-10(13)17-6-8(14)15-2/h3-5H,6H2,1-2H3
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n/an/a 2.84E+4n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50096008
PNG
(3-Acetyl-7-hydroxy-chromen-2-one | 3-acetyl-7-hydr...)
Show SMILES CC(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3
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n/an/a 4.52E+4n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326576
PNG
(3-(2,4-difluorophenylamino)-1-(5-methylfuran-2-yl)...)
Show SMILES Cc1ccc(o1)C(=O)CC=Nc1ccc(F)cc1F
Show InChI InChI=1S/C14H11F2NO2/c1-9-2-5-14(19-9)13(18)6-7-17-12-4-3-10(15)8-11(12)16/h2-5,7-8H,6H2,1H3
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n/an/a 5.75E+4n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326568
PNG
(CHEMBL1253493 | N-(furan-2-ylmethyl)-7-nitrobenzo[...)
Show SMILES [O-][N+](=O)c1ccc(NCc2ccco2)c2nonc12
Show InChI InChI=1S/C11H8N4O4/c16-15(17)9-4-3-8(10-11(9)14-19-13-10)12-6-7-2-1-5-18-7/h1-5,12H,6H2
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n/an/a 6.04E+4n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326567
PNG
(CHEMBL1253544 | ethyl 2-cyano-3-(2,4-dihydroxyphen...)
Show SMILES CCOC(=O)C(=C\c1ccc(O)cc1O)\C#N
Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)9(7-13)5-8-3-4-10(14)6-11(8)15/h3-6,14-15H,2H2,1H3/b9-5+
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n/an/a 6.21E+4n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM52230
PNG
((Z)-2-(1,3-benzoxazol-2-yl)-3-(2-pyridinylamino)-2...)
Show SMILES O=CC(C=Nc1ccccn1)c1nc2ccccc2o1
Show InChI InChI=1S/C15H11N3O2/c19-10-11(9-17-14-7-3-4-8-16-14)15-18-12-5-1-2-6-13(12)20-15/h1-11H
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n/an/a 6.42E+4n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50096008
PNG
(3-Acetyl-7-hydroxy-chromen-2-one | 3-acetyl-7-hydr...)
Show SMILES CC(=O)c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3
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n/an/a 1.03E+5n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326567
PNG
(CHEMBL1253544 | ethyl 2-cyano-3-(2,4-dihydroxyphen...)
Show SMILES CCOC(=O)C(=C\c1ccc(O)cc1O)\C#N
Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)9(7-13)5-8-3-4-10(14)6-11(8)15/h3-6,14-15H,2H2,1H3/b9-5+
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n/an/a 1.10E+5n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity in presence of Triton X-100 as detergent


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50326577
PNG
(3-nitroso-2-phenylindolizine | CHEMBL1253586)
Show SMILES O=Nc1c(cc2ccccn12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-15-14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-16(12)14/h1-10H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.21E+5n/an/an/an/an/an/a



Brain Mind Institute

Curated by ChEMBL


Assay Description
Inhibition of human MIF tautomerase activity


Bioorg Med Chem 18: 5425-40 (2010)


Article DOI: 10.1016/j.bmc.2010.05.010
BindingDB Entry DOI: 10.7270/Q2KH0P9C
More data for this
Ligand-Target Pair