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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'robertson' and Initial = 'mj'   
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)


(Homo sapiens (Human))
BDBM50206092
PNG
(CHEMBL3917143)
Show SMILES OC(=O)c1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1
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14n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206091
PNG
(CHEMBL3918231)
Show SMILES COCCOc1cccc(Oc2cccc3nc(ccc23)-c2cn(nn2)-c2ccc(O)c(F)c2)c1
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24n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206062
PNG
(CHEMBL3890541)
Show SMILES OC(=O)COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
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37n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206083
PNG
(CHEMBL3927658)
Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
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39n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206084
PNG
(CHEMBL3899123)
Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
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48n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92515
PNG
(RDR 03785, 11)
Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2
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52n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...


Bioorg Med Chem Lett 26: 2764-2767 (2016)


BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206030
PNG
(CHEMBL3957289)
Show SMILES Oc1ccc(cc1F)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1
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74n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206094
PNG
(CHEMBL3960793)
Show SMILES OC(=O)C(F)(F)F.NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1
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144n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206089
PNG
(CHEMBL3906441)
Show SMILES COCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
PDB
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147n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167985
PNG
(CHEMBL3798384)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1
Show InChI InChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2
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161n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167986
PNG
(CHEMBL3798149)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
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200n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206085
PNG
(CHEMBL3924400)
Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
PDB
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200n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206061
PNG
(CHEMBL3953102)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2ccccc2n1
PDB
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230n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206087
PNG
(CHEMBL3897449)
Show SMILES OC(=O)C(F)(F)F.NCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
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260n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206086
PNG
(CHEMBL3943378)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCC3CCCCO3)ccc2n1
PDB
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270n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206090
PNG
(CHEMBL3915405)
Show SMILES OC(=O)C(F)(F)F.NCCOCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
PDB
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360n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167985
PNG
(CHEMBL3798384)
Show SMILES Oc1ccc(cc1)-n1cc(nn1)-c1ccc2cc(OCCOCCN3CCOCC3)ccc2n1
Show InChI InChI=1S/C25H27N5O4/c31-21-4-2-20(3-5-21)30-18-25(27-28-30)24-7-1-19-17-22(6-8-23(19)26-24)34-16-15-33-14-11-29-9-12-32-13-10-29/h1-8,17-18,31H,9-16H2
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410n/an/an/an/an/an/an/an/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
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206093
PNG
(CHEMBL3925522)
Show SMILES OCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
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530n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167986
PNG
(CHEMBL3798149)
Show SMILES COCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18N4O3/c1-26-10-11-27-17-7-9-18-14(12-17)2-8-19(21-18)20-13-24(23-22-20)15-3-5-16(25)6-4-15/h2-9,12-13,25H,10-11H2,1H3
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550n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50206088
PNG
(CHEMBL3945050)
Show SMILES OC(=O)COc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccccc1
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1.37E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167987
PNG
(CHEMBL3799453)
Show SMILES Oc1ccc(\C=N\OC(=O)c2cccnc2)cc1F
Show InChI InChI=1S/C13H9FN2O3/c14-11-6-9(3-4-12(11)17)7-16-19-13(18)10-2-1-5-15-8-10/h1-8,17H/b16-7+
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3.30E+3n/an/an/an/an/an/an/an/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
Macrophage migration inhibitory factor (MIF)


(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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4.27E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...


Bioorg Med Chem Lett 26: 2764-2767 (2016)


BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50349073
PNG
(CHEMBL1807864)
Show SMILES COc1ccc2c(c1)sn(-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C14H10ClNO2S/c1-18-11-6-7-12-13(8-11)19-16(14(12)17)10-4-2-9(15)3-5-10/h2-8H,1H3
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5.37E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...


Bioorg Med Chem Lett 26: 2764-2767 (2016)


BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50349068
PNG
(CHEMBL1807940)
Show SMILES Oc1ccc2c(c1)sn(-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C13H8ClNO2S/c14-8-1-3-9(4-2-8)15-13(17)11-6-5-10(16)7-12(11)18-15/h1-7,16H
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1.00E+4n/an/an/an/an/an/an/an/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
Macrophage migration inhibitory factor (MIF)


(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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1.09E+4n/an/an/an/an/an/an/an/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
Macrophage migration inhibitory factor (MIF)


(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
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1.50E+4n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167988
PNG
(CHEMBL3798703)
Show SMILES COC(=O)[C@H]1CC(=NO1)c1ccc(O)cc1 |r,c:6|
Show InChI InChI=1/C11H11NO4/c1-15-11(14)10-6-9(12-16-10)7-2-4-8(13)5-3-7/h2-5,10,13H,6H2,1H3/t10-/s2
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2.40E+4n/an/an/an/an/an/an/an/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
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM53132
PNG
(4-(2-imidazo[1,2-a]pyridinyl)benzene-1,2-diol | 4-...)
Show SMILES Oc1ccc(cc1O)-c1cn2ccccc2n1
Show InChI InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-15-6-2-1-3-13(15)14-10/h1-8,16-17H
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2.66E+4n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(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)
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2.68E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli using 4-hydroxyphenyl pyruvic acid as substrate asses...


Bioorg Med Chem Lett 26: 2764-2767 (2016)


BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167988
PNG
(CHEMBL3798703)
Show SMILES COC(=O)[C@H]1CC(=NO1)c1ccc(O)cc1 |r,c:6|
Show InChI InChI=1/C11H11NO4/c1-15-11(14)10-6-9(12-16-10)7-2-4-8(13)5-3-7/h2-5,10,13H,6H2,1H3/t10-/s2
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2.73E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...


ACS Med Chem Lett 8: 124-127 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00451
BindingDB Entry DOI: 10.7270/Q2GQ70S5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167982
PNG
(CHEMBL3797982)
Show SMILES Oc1ccc(cc1O)-c1cnc2ccccn12
Show InChI InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-14-13-3-1-2-6-15(10)13/h1-8,16-17H
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4.52E+4n/an/an/an/an/an/an/an/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
Macrophage migration inhibitory factor (MIF)


(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
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n/an/a 38n/an/an/an/an/an/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
3D Structure (crystal)
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167982
PNG
(CHEMBL3797982)
Show SMILES Oc1ccc(cc1O)-c1cnc2ccccn12
Show InChI InChI=1S/C13H10N2O2/c16-11-5-4-9(7-12(11)17)10-8-14-13-3-1-2-6-15(10)13/h1-8,16-17H
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n/an/a 110n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF (unknown origin) tautomerase activity using dopachrome as substrate


Bioorg Med Chem Lett 26: 2764-2767 (2016)


BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50316543
PNG
(CHEMBL1094197 | N,N'-(Propane-1,3-diyl)bis(6,7-dih...)
Show SMILES Oc1cc2cc(C(=O)NCCCNC(=O)c3cc4cc(O)c(O)cc4oc3=N)c(=N)oc2cc1O
Show InChI InChI=1S/C23H20N4O8/c24-20-12(4-10-6-14(28)16(30)8-18(10)34-20)22(32)26-2-1-3-27-23(33)13-5-11-7-15(29)17(31)9-19(11)35-21(13)25/h4-9,24-25,28-31H,1-3H2,(H,26,32)(H,27,33)
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n/an/a 290n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant dynamin 2 expressed in Sf9 cells by malachite green GTPase assay


J Med Chem 53: 4094-102 (2010)


Article DOI: 10.1021/jm100119c
BindingDB Entry DOI: 10.7270/Q2PZ5903
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92515
PNG
(RDR 03785, 11)
Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2
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n/an/a 360n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent inhibition of MIF (unknown origin) tautomerase activity 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
Dynamin-2


(Homo sapiens (Human))
BDBM50316542
PNG
(CHEMBL1098764 | N,N'-(Propane-1,3-diyl)bis(7,8-dih...)
Show SMILES Oc1ccc2cc(C(=O)NCCCNC(=O)c3cc4ccc(O)c(O)c4oc3=N)c(=N)oc2c1O
Show InChI InChI=1S/C23H20N4O8/c24-20-12(8-10-2-4-14(28)16(30)18(10)34-20)22(32)26-6-1-7-27-23(33)13-9-11-3-5-15(29)17(31)19(11)35-21(13)25/h2-5,8-9,24-25,28-31H,1,6-7H2,(H,26,32)(H,27,33)
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n/an/a 390n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant dynamin 2 expressed in Sf9 cells by malachite green GTPase assay


J Med Chem 53: 4094-102 (2010)


Article DOI: 10.1021/jm100119c
BindingDB Entry DOI: 10.7270/Q2PZ5903
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM50167987
PNG
(CHEMBL3799453)
Show SMILES Oc1ccc(\C=N\OC(=O)c2cccnc2)cc1F
Show InChI InChI=1S/C13H9FN2O3/c14-11-6-9(3-4-12(11)17)7-16-19-13(18)10-2-1-5-15-8-10/h1-8,17H/b16-7+
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n/an/a 410n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of MIF (unknown origin) tautomerase activity using dopachrome as substrate


Bioorg Med Chem Lett 26: 2764-2767 (2016)


BindingDB Entry DOI: 10.7270/Q24X59PR
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50316539
PNG
(CHEMBL1094850 | N,N'-(Ethane-1,2-diyl)bis(7,8-dihy...)
Show SMILES Oc1ccc2cc(C(=O)NCCNC(=O)c3cc4ccc(O)c(O)c4oc3=N)c(=N)oc2c1O
Show InChI InChI=1S/C22H18N4O8/c23-19-11(7-9-1-3-13(27)15(29)17(9)33-19)21(31)25-5-6-26-22(32)12-8-10-2-4-14(28)16(30)18(10)34-20(12)24/h1-4,7-8,23-24,27-30H,5-6H2,(H,25,31)(H,26,32)
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n/an/a 440n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant dynamin 2 expressed in Sf9 cells by malachite green GTPase assay


J Med Chem 53: 4094-102 (2010)


Article DOI: 10.1021/jm100119c
BindingDB Entry DOI: 10.7270/Q2PZ5903
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor (MIF)


(Homo sapiens (Human))
BDBM92515
PNG
(RDR 03785, 11)
Show SMILES Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2
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n/an/a 570n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Covalent 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
Dynamin-2


(Homo sapiens (Human))
BDBM50423883
PNG
(CHEMBL2312430)
Show SMILES CCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423885
PNG
(CHEMBL2312431)
Show SMILES CCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C26H45N3/c1-4-5-6-7-8-9-10-11-12-15-19-27-22-24-23-29(21-16-20-28(2)3)26-18-14-13-17-25(24)26/h13-14,17-18,23,27H,4-12,15-16,19-22H2,1-3H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423886
PNG
(CHEMBL2312428)
Show SMILES CCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C22H37N3/c1-4-5-6-7-8-11-15-23-18-20-19-25(17-12-16-24(2)3)22-14-10-9-13-21(20)22/h9-10,13-14,19,23H,4-8,11-12,15-18H2,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423888
PNG
(CHEMBL2312414)
Show SMILES CCCCCCCCNC(=O)C(=C\c1cn(CC(O)CN(C)C)c2ccccc12)\C#N
Show InChI InChI=1S/C25H36N4O2/c1-4-5-6-7-8-11-14-27-25(31)20(16-26)15-21-17-29(19-22(30)18-28(2)3)24-13-10-9-12-23(21)24/h9-10,12-13,15,17,22,30H,4-8,11,14,18-19H2,1-3H3,(H,27,31)/b20-15+
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n/an/a 3.50E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423887
PNG
(CHEMBL2312415)
Show SMILES CCCCCCCCNC(=O)C(=C\c1c(C)n(CC(O)CN2CCCC2)c2ccccc12)\C#N
Show InChI InChI=1S/C28H40N4O2/c1-3-4-5-6-7-10-15-30-28(34)23(19-29)18-26-22(2)32(27-14-9-8-13-25(26)27)21-24(33)20-31-16-11-12-17-31/h8-9,13-14,18,24,33H,3-7,10-12,15-17,20-21H2,1-2H3,(H,30,34)/b23-18+
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n/an/a 4.50E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50268295
PNG
(2-Cyano-N-octyl-3-(1-(3-dimethylaminopropyl)-1H-in...)
Show SMILES CCCCCCCCNC(=O)C(=C\c1cn(CCCN(C)C)c2ccccc12)\C#N
Show InChI InChI=1S/C25H36N4O/c1-4-5-6-7-8-11-15-27-25(30)21(19-26)18-22-20-29(17-12-16-28(2)3)24-14-10-9-13-23(22)24/h9-10,13-14,18,20H,4-8,11-12,15-17H2,1-3H3,(H,27,30)/b21-18+
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n/an/a 5.00E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Rattus norvegicus)
BDBM50423883
PNG
(CHEMBL2312430)
Show SMILES CCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of rat full length His6-tagged dyn2 using phosphotidylserine as substrate after 90 mins by malachite green GTPase assay in presence of GTP


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50388829
PNG
(CHEMBL2062753)
Show SMILES CN(C)CCCOc1ccc(\C=C2/SC(=S)N(CC=C)C2=O)cc1
Show InChI InChI=1S/C18H22N2O2S2/c1-4-10-20-17(21)16(24-18(20)23)13-14-6-8-15(9-7-14)22-12-5-11-19(2)3/h4,6-9,13H,1,5,10-12H2,2-3H3/b16-13-
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n/an/a 5.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dynamin1-mediated endocytosis in human U2OS cells assessed as inhibition of Texas red-Tf uptake incubated for 30 mins prior to Texas re...


ACS Med Chem Lett 3: 352-356 (2012)


Article DOI: 10.1021/ml200284s
BindingDB Entry DOI: 10.7270/Q2V40W83
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423884
PNG
(CHEMBL2312432)
Show SMILES CCCCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C28H49N3/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-29-24-26-25-31(23-18-22-30(2)3)28-20-16-15-19-27(26)28/h15-16,19-20,25,29H,4-14,17-18,21-24H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446548
PNG
(CHEMBL3110181)
Show SMILES [O-]S(=O)(=O)c1cc2C(=O)N(Cc3ccccc3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C19H13NO5S/c21-18-15-8-4-7-13-9-14(26(23,24)25)10-16(17(13)15)19(22)20(18)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,23,24,25)/p-1
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n/an/a 6.90E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50388828
PNG
(CHEMBL2062743)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(OCCCN(C)C)cc2)C1=O
Show InChI InChI=1S/C17H22N2O2S2/c1-4-19-16(20)15(23-17(19)22)12-13-6-8-14(9-7-13)21-11-5-10-18(2)3/h6-9,12H,4-5,10-11H2,1-3H3/b15-12-
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dynamin1-mediated endocytosis in human U2OS cells assessed as inhibition of Texas red-Tf uptake incubated for 30 mins prior to Texas re...


ACS Med Chem Lett 3: 352-356 (2012)


Article DOI: 10.1021/ml200284s
BindingDB Entry DOI: 10.7270/Q2V40W83
More data for this
Ligand-Target Pair
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