new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'banerjee' and Initial = 't'   
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
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211885
PNG
(5-(3,4-dihydroxybenzylidene)-3-phenyl-2-thioxothia...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(C2=O)c2ccccc2)cc1O
Show InChI InChI=1S/C16H11NO3S2/c18-12-7-6-10(8-13(12)19)9-14-15(20)17(16(21)22-14)11-4-2-1-3-5-11/h1-9,18-19H/b14-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211885
PNG
(5-(3,4-dihydroxybenzylidene)-3-phenyl-2-thioxothia...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(C2=O)c2ccccc2)cc1O
Show InChI InChI=1S/C16H11NO3S2/c18-12-7-6-10(8-13(12)19)9-14-15(20)17(16(21)22-14)11-4-2-1-3-5-11/h1-9,18-19H/b14-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
32n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211907
PNG
(5-((5-(2,3-dichlorophenyl)furan-2-yl)methylene)-2-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:7.8,t:1|
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)10-5-4-7(19-10)6-11-13(18)17-14(20)21-11/h1-6H,(H,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
480n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8425
PNG
((5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylid...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)NC2=O)o1
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-7(5-10(9)16)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)/b12-6-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
510n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211907
PNG
(5-((5-(2,3-dichlorophenyl)furan-2-yl)methylene)-2-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:7.8,t:1|
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)10-5-4-7(19-10)6-11-13(18)17-14(20)21-11/h1-6H,(H,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
560n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8425
PNG
((5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylid...)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)NC2=O)o1
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-7(5-10(9)16)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)/b12-6-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
630n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
660n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211908
PNG
(5-((5-(3-chlorophenyl)furan-2-yl)methylene)-2-thio...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C14H8ClNO2S2/c15-9-3-1-2-8(6-9)11-5-4-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
880n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211908
PNG
(5-((5-(3-chlorophenyl)furan-2-yl)methylene)-2-thio...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C14H8ClNO2S2/c15-9-3-1-2-8(6-9)11-5-4-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.05E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211897
PNG
((Z)-5-((5-(2,5-dichlorophenyl)furan-2-yl)methylene...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cc(Cl)ccc1Cl |w:7.8,t:1|
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-7-1-3-10(16)9(5-7)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211897
PNG
((Z)-5-((5-(2,5-dichlorophenyl)furan-2-yl)methylene...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cc(Cl)ccc1Cl |w:7.8,t:1|
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-7-1-3-10(16)9(5-7)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211902
PNG
(5-((5-(3,5-dichlorophenyl)furan-2-yl)methylene)-2-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-8-3-7(4-9(16)5-8)11-2-1-10(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211901
PNG
(6-(5-(4-(4-chlorobenzyloxy)-3-methoxybenzylidene)-...)
Show SMILES COc1cc(\C=C2/SC(=S)N(CCCCCC(O)=O)C2=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClNO5S2/c1-30-20-13-17(8-11-19(20)31-15-16-6-9-18(25)10-7-16)14-21-23(29)26(24(32)33-21)12-4-2-3-5-22(27)28/h6-11,13-14H,2-5,12,15H2,1H3,(H,27,28)/b21-14-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.10E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211901
PNG
(6-(5-(4-(4-chlorobenzyloxy)-3-methoxybenzylidene)-...)
Show SMILES COc1cc(\C=C2/SC(=S)N(CCCCCC(O)=O)C2=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClNO5S2/c1-30-20-13-17(8-11-19(20)31-15-16-6-9-18(25)10-7-16)14-21-23(29)26(24(32)33-21)12-4-2-3-5-22(27)28/h6-11,13-14H,2-5,12,15H2,1H3,(H,27,28)/b21-14-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.40E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211902
PNG
(5-((5-(3,5-dichlorophenyl)furan-2-yl)methylene)-2-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-8-3-7(4-9(16)5-8)11-2-1-10(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.50E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211890
PNG
(6-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-t...)
Show SMILES CCCCCCOc1ccc(\C=C2/SC(=S)N(CCCCCC(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C23H31NO5S2/c1-3-4-5-9-14-29-18-12-11-17(15-19(18)28-2)16-20-22(27)24(23(30)31-20)13-8-6-7-10-21(25)26/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,25,26)/b20-16-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6.60E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211890
PNG
(6-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-t...)
Show SMILES CCCCCCOc1ccc(\C=C2/SC(=S)N(CCCCCC(O)=O)C2=O)cc1OC
Show InChI InChI=1S/C23H31NO5S2/c1-3-4-5-9-14-29-18-12-11-17(15-19(18)28-2)16-20-22(27)24(23(30)31-20)13-8-6-7-10-21(25)26/h11-12,15-16H,3-10,13-14H2,1-2H3,(H,25,26)/b20-16-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
7.30E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211892
PNG
((Z)-5-(4-methoxybenzylidene)-3-(4-hydroxyphenyl)-2...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H13NO3S2/c1-21-14-8-2-11(3-9-14)10-15-16(20)18(17(22)23-15)12-4-6-13(19)7-5-12/h2-10,19H,1H3/b15-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.70E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211892
PNG
((Z)-5-(4-methoxybenzylidene)-3-(4-hydroxyphenyl)-2...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H13NO3S2/c1-21-14-8-2-11(3-9-14)10-15-16(20)18(17(22)23-15)12-4-6-13(19)7-5-12/h2-10,19H,1H3/b15-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
9.10E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24828
PNG
(Brassinin derivative, 16 | N-[2-(1H-indol-3-yl)eth...)
Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2S2/c25-22(23-12-11-19-14-24-21-8-4-3-7-20(19)21)26-15-16-9-10-17-5-1-2-6-18(17)13-16/h1-10,13-14,24H,11-12,15H2,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.16E+4 -29.3n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211905
PNG
(4-((3-(4-methoxyphenyl)-4-oxo-2-thioxothiazolidin-...)
Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(C=O)cc2)C1=O
Show InChI InChI=1S/C18H13NO3S2/c1-22-15-8-6-14(7-9-15)19-17(21)16(24-18(19)23)10-12-2-4-13(11-20)5-3-12/h2-11H,1H3/b16-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.32E+4n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24825
PNG
((benzylsulfanyl)-N-(1H-indol-3-ylmethyl)carbothioa...)
Show SMILES S=C(NCc1c[nH]c2ccccc12)SCc1ccccc1
Show InChI InChI=1S/C17H16N2S2/c20-17(21-12-13-6-2-1-3-7-13)19-11-14-10-18-16-9-5-4-8-15(14)16/h1-10,18H,11-12H2,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.32E+4 -29.0n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211905
PNG
(4-((3-(4-methoxyphenyl)-4-oxo-2-thioxothiazolidin-...)
Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(C=O)cc2)C1=O
Show InChI InChI=1S/C18H13NO3S2/c1-22-15-8-6-14(7-9-15)19-17(21)16(24-18(19)23)10-12-2-4-13(11-20)5-3-12/h2-11H,1H3/b16-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.44E+4n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24827
PNG
((benzylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]carboth...)
Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccccc1
Show InChI InChI=1S/C18H18N2S2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-15-12-20-17-9-5-4-8-16(15)17/h1-9,12,20H,10-11,13H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.72E+4 -28.3n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24830
PNG
(Brassinin derivative, 18 | N-[2-(1H-indol-3-yl)eth...)
Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1ccncc1
Show InChI InChI=1S/C17H17N3S2/c21-17(22-12-13-5-8-18-9-6-13)19-10-7-14-11-20-16-4-2-1-3-15(14)16/h1-6,8-9,11,20H,7,10,12H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.05E+4 -27.8n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24829
PNG
(Brassinin derivative, 17 | N-[2-(1H-indol-3-yl)eth...)
Show SMILES S=C(NCCc1c[nH]c2ccccc12)SCc1cccnc1
Show InChI InChI=1S/C17H17N3S2/c21-17(22-12-13-4-3-8-18-10-13)19-9-7-14-11-20-16-6-2-1-5-15(14)16/h1-6,8,10-11,20H,7,9,12H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.84E+4 -27.0n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24816
PNG
(Brassinin derivative, 4 | N-[3-(1H-indol-3-yl)prop...)
Show SMILES CSC(=S)NCCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2S2/c1-17-13(16)14-8-4-5-10-9-15-12-7-3-2-6-11(10)12/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,14,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.40E+4 -26.5n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24824
PNG
(Brassinin derivative, 12 | N-(1H-indol-3-ylmethyl)...)
Show SMILES C=CCSC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2S2/c1-2-7-17-13(16)15-9-10-8-14-12-6-4-3-5-11(10)12/h2-6,8,14H,1,7,9H2,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.70E+4 -26.3n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24815
PNG
(Brassinin derivative, 3 | N-[2-(1-benzothiophen-3-...)
Show SMILES CSC(=S)NCCc1csc2ccccc12
Show InChI InChI=1S/C12H13NS3/c1-15-12(14)13-7-6-9-8-16-11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.10E+4 -26.1n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24817
PNG
(Brassinin derivative, 5 | N-(2,3-dihydro-1H-inden-...)
Show SMILES CSC(=S)NC1Cc2ccccc2C1
Show InChI InChI=1S/C11H13NS2/c1-14-11(13)12-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.21E+4 -26.0n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24819
PNG
((methylsulfanyl)-N-(naphthalen-2-ylmethyl)carbothi...)
Show SMILES CSC(=S)NCc1ccc2ccccc2c1
Show InChI InChI=1S/C13H13NS2/c1-16-13(15)14-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3,(H,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.76E+4 -25.7n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24821
PNG
((methylsulfanyl)-N-(2-phenylethyl)carbothioamide |...)
Show SMILES CSC(=S)NCCc1ccccc1
Show InChI InChI=1S/C10H13NS2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
6.24E+4 -25.0n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24820
PNG
(Brassinin derivative, 8 | N-benzyl(methylsulfanyl)...)
Show SMILES CSC(=S)NCc1ccccc1
Show InChI InChI=1S/C9H11NS2/c1-12-9(11)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
7.24E+4 -24.6n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24814
PNG
(Brassinin derivative, 2 | N-[2-(1H-indol-3-yl)ethy...)
Show SMILES CSC(=S)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2S2/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
8.25E+4 -24.2n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24813
PNG
(Brassinin, 1 | N-(1H-indol-3-ylmethyl)(methylsulfa...)
Show SMILES CSC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
9.77E+4 -23.8n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24822
PNG
(Brassinin derivative, 10 | N-[2-(4-fluorophenyl)et...)
Show SMILES CSC(=S)NCCc1ccc(F)cc1
Show InChI InChI=1S/C10H12FNS2/c1-14-10(13)12-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.49E+5 -22.7n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24818
PNG
(Brassinin derivative, 6 | N-(adamantan-2-yl)(methy...)
Show SMILES CSC(=S)NC1C2CC3CC(C2)CC1C3 |TLB:4:5:8.7.14:10.11.12,14:13:9.8.7:11,THB:4:5:9.8.7:11,9:8:5:10.11.12,9:10:5:8.7.14,14:8:11:5.13.12,(2.8,2.34,;1.58,1.4,;.16,1.97,;-.06,3.5,;-1.06,1.02,;-2.48,1.6,;-2.8,.35,;-4.35,.27,;-6.36,1.56,;-7.42,.47,;-5.99,.53,;-3.89,-.74,;-5.45,2.65,;-4.01,3.05,;-6.03,2.85,)|
Show InChI InChI=1S/C12H19NS2/c1-15-12(14)13-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3,(H,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.80E+5 -22.2n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24834
PNG
(N-(1H-indol-3-ylmethyl)propanethioamide | thioamid...)
Show SMILES CCC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2S/c1-2-12(15)14-8-9-7-13-11-6-4-3-5-10(9)11/h3-7,13H,2,8H2,1H3,(H,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.02E+5 -21.9n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24836
PNG
(4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole | th...)
Show SMILES Cc1nc(Cc2c[nH]c3ccccc23)cs1
Show InChI InChI=1S/C13H12N2S/c1-9-15-11(8-16-9)6-10-7-14-13-5-3-2-4-12(10)13/h2-5,7-8,14H,6H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.29E+5 -20.7n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24832
PNG
(1-[2-(1H-indol-3-yl)ethyl]-3-methylthiourea | thio...)
Show SMILES CNC(=S)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H15N3S/c1-13-12(16)14-7-6-9-8-15-11-5-3-2-4-10(9)11/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
3.42E+5 -20.6n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24826
PNG
((hexylsulfanyl)-N-(1H-indol-3-ylmethyl)carbothioam...)
Show SMILES CCCCCCSC(=S)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C16H22N2S2/c1-2-3-4-7-10-20-16(19)18-12-13-11-17-15-9-6-5-8-14(13)15/h5-6,8-9,11,17H,2-4,7,10,12H2,1H3,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.64E+5 -20.4n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24823
PNG
(Brassinin derivative, 11 | N-methyl(methylsulfanyl...)
Show SMILES CSC(=S)N(C)CCc1ccccc1
Show InChI InChI=1S/C11H15NS2/c1-12(11(13)14-2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.27E+6 -17.2n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24835
PNG
(4-(1H-indol-3-ylmethyl)-1,3-thiazole | thiazole, 2...)
Show SMILES C(c1cscn1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(6-13-12)5-10-7-15-8-14-10/h1-4,6-8,13H,5H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.29E+6 -17.2n/an/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 49: 684-92 (2006)


Article DOI: 10.1021/jm0508888
BindingDB Entry DOI: 10.7270/Q2QR4VDZ
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211885
PNG
(5-(3,4-dihydroxybenzylidene)-3-phenyl-2-thioxothia...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(C2=O)c2ccccc2)cc1O
Show InChI InChI=1S/C16H11NO3S2/c18-12-7-6-10(8-13(12)19)9-14-15(20)17(16(21)22-14)11-4-2-1-3-5-11/h1-9,18-19H/b14-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211884
PNG
((Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(4-hydrox...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C17H13NO4S2/c1-22-14-8-10(2-7-13(14)20)9-15-16(21)18(17(23)24-15)11-3-5-12(19)6-4-11/h2-9,19-20H,1H3/b15-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211883
PNG
(5-((5-(2,4-dichlorophenyl)furan-2-yl)methylene)-3-...)
Show SMILES CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-9-3-5-12(20-9)10-4-2-8(16)6-11(10)17/h2-7H,1H3/b13-7-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211935
PNG
(5-((4-methoxynaphthalen-1-yl)methylene)-3-(4-metho...)
Show SMILES COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(OC)c3ccccc23)C1=O
Show InChI InChI=1S/C22H17NO3S2/c1-25-16-10-8-15(9-11-16)23-21(24)20(28-22(23)27)13-14-7-12-19(26-2)18-6-4-3-5-17(14)18/h3-13H,1-2H3/b20-13-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211907
PNG
(5-((5-(2,3-dichlorophenyl)furan-2-yl)methylene)-2-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:7.8,t:1|
Show InChI InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-2-8(12(9)16)10-5-4-7(19-10)6-11-13(18)17-14(20)21-11/h1-6H,(H,17,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Enoyl-acyl-carrier protein reductase


(Plasmodium falciparum)
BDBM50211915
PNG
(5-((5-(3,5-dichlorophenyl)furan-2-yl)methylene)-3-...)
Show SMILES CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(Cl)cc(Cl)c2)C1=O
Show InChI InChI=1S/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-11-2-3-12(20-11)8-4-9(16)6-10(17)5-8/h2-7H,1H3/b13-7-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells


J Med Chem 50: 2665-75 (2007)


Article DOI: 10.1021/jm061257w
BindingDB Entry DOI: 10.7270/Q2ZP46X9
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 103 total )  |  Next  |  Last  >>
Jump to: