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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'bandyopadhyay' and Initial = 'u'   
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))		BDBM92409
PNG
(Epoxyazadiradione)
Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1 |c:12|
Show InChI InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359714
PNG
(CHEMBL1927069)
Show SMILES COc1cc(ccc1O)C1=NOC(COc2ccc(C=O)cc2)C1 |t:10|
Show InChI InChI=1S/C18H17NO5/c1-22-18-8-13(4-7-17(18)21)16-9-15(24-19-16)11-23-14-5-2-12(10-20)3-6-14/h2-8,10,15,21H,9,11H2,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Plasmodium falciparum)		BDBM92409
PNG
(Epoxyazadiradione)
Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1 |c:12|
Show InChI InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor-like protein


(Plasmodium yoelii)		BDBM92409
PNG
(Epoxyazadiradione)
Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1 |c:12|
Show InChI InChI=1S/C28H34O6/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)22(31)23-28(26,34-23)27(17,20)6/h8-10,12,14,17-18,20-21,23H,7,11,13H2,1-6H3/t17-,18+,20-,21-,23-,25-,26+,27+,28-/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359718
PNG
(CHEMBL1927059)
Show SMILES COc1cc(ccc1O)C1=NOC(CC(O)=O)C1 |t:10|
Show InChI InChI=1S/C12H13NO5/c1-17-11-4-7(2-3-10(11)14)9-5-8(18-13-9)6-12(15)16/h2-4,8,14H,5-6H2,1H3,(H,15,16)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414747
PNG
(CHEMBL550408)
Show SMILES COc1ccc(cc1)C(Sc1ccccc1)c1cccnc1
Show InChI InChI=1S/C19H17NOS/c1-21-17-11-9-15(10-12-17)19(16-6-5-13-20-14-16)22-18-7-3-2-4-8-18/h2-14,19H,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in chloroquine-sensitive Plasmodium falciparum NF54

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359713
PNG
(CHEMBL1927067)
Show SMILES CCCCOC(=O)CC1CC(=NO1)c1ccc(OC)cc1 |c:10|
Show InChI InChI=1S/C16H21NO4/c1-3-4-9-20-16(18)11-14-10-15(17-21-14)12-5-7-13(19-2)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3
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n/an/a 1.12E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359716
PNG
(CHEMBL1927057)
Show SMILES OC(=O)CC1CC(=NO1)c1ccc(O)cc1 |c:6|
Show InChI InChI=1S/C11H11NO4/c13-8-3-1-7(2-4-8)10-5-9(16-12-10)6-11(14)15/h1-4,9,13H,5-6H2,(H,14,15)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414748
PNG
(CHEMBL560600)
Show SMILES COc1ccc(cc1)C(Sc1ccccc1C)c1cccnc1
Show InChI InChI=1S/C20H19NOS/c1-15-6-3-4-8-19(15)23-20(17-7-5-13-21-14-17)16-9-11-18(22-2)12-10-16/h3-14,20H,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in chloroquine-sensitive Plasmodium falciparum NF54

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359717
PNG
(CHEMBL1927058)
Show SMILES COc1ccc(cc1)C1=NOC(CC(O)=O)C1 |t:9|
Show InChI InChI=1S/C12H13NO4/c1-16-9-4-2-8(3-5-9)11-6-10(17-13-11)7-12(14)15/h2-5,10H,6-7H2,1H3,(H,14,15)
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n/an/a 1.67E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM92412
PNG
(Nimbin)
Show SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@H](OC(C)=O)[C@H]2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC |c:32,t:14|
Show InChI InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1
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n/an/a 1.75E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414747
PNG
(CHEMBL550408)
Show SMILES COc1ccc(cc1)C(Sc1ccccc1)c1cccnc1
Show InChI InChI=1S/C19H17NOS/c1-21-17-11-9-15(10-12-17)19(16-6-5-13-20-14-16)22-18-7-3-2-4-8-18/h2-14,19H,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in multi drug-resistant Plasmodium yoelii

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359712
PNG
(CHEMBL1927066)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(OC)cc1 |c:7|
Show InChI InChI=1S/C13H15NO4/c1-16-10-5-3-9(4-6-10)12-7-11(18-14-12)8-13(15)17-2/h3-6,11H,7-8H2,1-2H3
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n/an/a 1.97E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414749
PNG
(CHEMBL560680)
Show SMILES COc1ccc(cc1)C(Sc1ccc(C)cc1)c1cccnc1
Show InChI InChI=1S/C20H19NOS/c1-15-5-11-19(12-6-15)23-20(17-4-3-13-21-14-17)16-7-9-18(22-2)10-8-16/h3-14,20H,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in multi drug-resistant Plasmodium yoelii

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414751
PNG
(CHEMBL550607)
Show SMILES COc1ccc(cc1)C(Sc1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C23H19NOS/c1-25-21-11-8-18(9-12-21)23(20-7-4-14-24-16-20)26-22-13-10-17-5-2-3-6-19(17)15-22/h2-16,23H,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in multi drug-resistant Plasmodium yoelii

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor-like protein


(Plasmodium yoelii)		BDBM92412
PNG
(Nimbin)
Show SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@H](OC(C)=O)[C@H]2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC |c:32,t:14|
Show InChI InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1
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n/an/a 2.24E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Plasmodium falciparum)		BDBM92412
PNG
(Nimbin)
Show SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@H](OC(C)=O)[C@H]2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC |c:32,t:14|
Show InChI InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1
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n/an/a 2.25E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359719
PNG
(CHEMBL1927060)
Show SMILES COC(=O)C1CC(=NO1)c1ccc(OC)c(OC)c1 |c:6|
Show InChI InChI=1S/C13H15NO5/c1-16-10-5-4-8(6-11(10)17-2)9-7-12(19-14-9)13(15)18-3/h4-6,12H,7H2,1-3H3
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n/an/a 2.52E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414748
PNG
(CHEMBL560600)
Show SMILES COc1ccc(cc1)C(Sc1ccccc1C)c1cccnc1
Show InChI InChI=1S/C20H19NOS/c1-15-6-3-4-8-19(15)23-20(17-7-5-13-21-14-17)16-9-11-18(22-2)12-10-16/h3-14,20H,1-2H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in multi drug-resistant Plasmodium yoelii

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414752
PNG
(CHEMBL558528)
Show SMILES COc1ccc(cc1)C(Sc1nc2ccccc2s1)c1cccnc1
Show InChI InChI=1S/C20H16N2OS2/c1-23-16-10-8-14(9-11-16)19(15-5-4-12-21-13-15)25-20-22-17-6-2-3-7-18(17)24-20/h2-13,19H,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in chloroquine-sensitive Plasmodium falciparum NF54

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM92410
PNG
(Azadiradione)
Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)c1ccoc1 |c:12,25|
Show InChI InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24-,26-,27-,28-/m1/s1
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n/an/a 3.52E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359720
PNG
(CHEMBL1927061)
Show SMILES COc1ccc(cc1OC)C1=NOC(C1)C(C)=O |t:11|
Show InChI InChI=1S/C13H15NO4/c1-8(15)12-7-10(14-18-12)9-4-5-11(16-2)13(6-9)17-3/h4-6,12H,7H2,1-3H3
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n/an/a 3.54E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359715
PNG
(CHEMBL1927070)
Show SMILES COC(=O)CC1CC(=NO1)c1ccc(OC(=O)CC2CC(=NO2)c2ccc(OC)cc2)cc1 |c:7,21|
Show InChI InChI=1S/C24H24N2O7/c1-29-17-7-3-15(4-8-17)22-12-20(33-26-22)14-24(28)31-18-9-5-16(6-10-18)21-11-19(32-25-21)13-23(27)30-2/h3-10,19-20H,11-14H2,1-2H3
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n/an/a 3.72E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414750
PNG
(CHEMBL570314)
Show SMILES COc1ccc(cc1)C(Sc1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C19H16ClNOS/c1-22-17-8-4-14(5-9-17)19(15-3-2-12-21-13-15)23-18-10-6-16(20)7-11-18/h2-13,19H,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in chloroquine-sensitive Plasmodium falciparum NF54

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414753
PNG
(CHEMBL560880)
Show SMILES COc1ccc(cc1)C(Sc1ccc(C)cc1)c1ccccn1
Show InChI InChI=1S/C20H19NOS/c1-15-6-12-18(13-7-15)23-20(19-5-3-4-14-21-19)16-8-10-17(22-2)11-9-16/h3-14,20H,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in chloroquine-sensitive Plasmodium falciparum NF54

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414752
PNG
(CHEMBL558528)
Show SMILES COc1ccc(cc1)C(Sc1nc2ccccc2s1)c1cccnc1
Show InChI InChI=1S/C20H16N2OS2/c1-23-16-10-8-14(9-11-16)19(15-5-4-12-21-13-15)25-20-22-17-6-2-3-7-18(17)24-20/h2-13,19H,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in multi drug-resistant Plasmodium yoelii

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414753
PNG
(CHEMBL560880)
Show SMILES COc1ccc(cc1)C(Sc1ccc(C)cc1)c1ccccn1
Show InChI InChI=1S/C20H19NOS/c1-15-6-12-18(13-7-15)23-20(19-5-3-4-14-21-19)16-8-10-17(22-2)11-9-16/h3-14,20H,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in multi drug-resistant Plasmodium yoelii

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414751
PNG
(CHEMBL550607)
Show SMILES COc1ccc(cc1)C(Sc1ccc2ccccc2c1)c1cccnc1
Show InChI InChI=1S/C23H19NOS/c1-25-21-11-8-18(9-12-21)23(20-7-4-14-24-16-20)26-22-13-10-17-5-2-3-6-19(17)15-22/h2-16,23H,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in chloroquine-sensitive Plasmodium falciparum NF54

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414750
PNG
(CHEMBL570314)
Show SMILES COc1ccc(cc1)C(Sc1ccc(Cl)cc1)c1cccnc1
Show InChI InChI=1S/C19H16ClNOS/c1-22-17-8-4-14(5-9-17)19(15-3-2-12-21-13-15)23-18-10-6-16(20)7-11-18/h2-13,19H,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in multi drug-resistant Plasmodium yoelii

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Histidine-rich protein PFHRP-II


(Plasmodium falciparum)		BDBM50414749
PNG
(CHEMBL560680)
Show SMILES COc1ccc(cc1)C(Sc1ccc(C)cc1)c1cccnc1
Show InChI InChI=1S/C20H19NOS/c1-15-5-11-19(12-6-15)23-20(17-4-3-13-21-14-17)16-7-9-18(22-2)10-8-16/h3-14,20H,1-2H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of hemozoin formation after 48 hrs in chloroquine-sensitive Plasmodium falciparum NF54

Antimicrob Agents Chemother 52: 705-15 (2008)


Article DOI: 10.1128/AAC.00898-07
BindingDB Entry DOI: 10.7270/Q27P90M5
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor-like protein


(Plasmodium yoelii)		BDBM92410
PNG
(Azadiradione)
Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)c1ccoc1 |c:12,25|
Show InChI InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24-,26-,27-,28-/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Plasmodium falciparum)		BDBM92410
PNG
(Azadiradione)
Show SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)C=C3[C@]12C)c1ccoc1 |c:12,25|
Show InChI InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24-,26-,27-,28-/m1/s1
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n/an/a 4.56E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM50359711
PNG
(CHEMBL1927064)
Show SMILES COc1ccc(cc1)C1=NOC(CC(=O)Oc2cc(C)ccc2C(C)C)C1 |t:9|
Show InChI InChI=1S/C22H25NO4/c1-14(2)19-10-5-15(3)11-21(19)26-22(24)13-18-12-20(23-27-18)16-6-8-17(25-4)9-7-16/h5-11,14,18H,12-13H2,1-4H3
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n/an/a 5.53E+4n/an/an/an/an/an/a



Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human cloned MIF tautomerase activity expressed in Escherichia coli assessed as conversion of L-dopachrome methyl ester to indolecarbox...

Bioorg Med Chem 19: 7365-73 (2011)


Article DOI: 10.1016/j.bmc.2011.10.056
BindingDB Entry DOI: 10.7270/Q2CR5TSR
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Homo sapiens (Human))		BDBM92411
PNG
(Salannin)
Show SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@@H]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3OC(C)=O)OC(=O)C(\C)=C\C |r,t:14|
Show InChI InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1
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n/an/a 8.53E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor


(Plasmodium falciparum)		BDBM92411
PNG
(Salannin)
Show SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@@H]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3OC(C)=O)OC(=O)C(\C)=C\C |r,t:14|
Show InChI InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1
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n/an/a 8.95E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair
Macrophage migration inhibitory factor-like protein


(Plasmodium yoelii)		BDBM92411
PNG
(Salannin)
Show SMILES COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@@H]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3OC(C)=O)OC(=O)C(\C)=C\C |r,t:14|
Show InChI InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1
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n/an/a 9.52E+4n/an/an/an/an/an/a



Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology



Assay Description
The tautomerase activity of MIFs was monitored by following the tautomerization of L-dopachrome methyl ester by the recombinant MIFs in the presence ...

J Biol Chem 287: 24844-61 (2012)


Article DOI: 10.1074/jbc.M112.341321
BindingDB Entry DOI: 10.7270/Q2RV0M83
More data for this
Ligand-Target Pair