BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'boechat' and Initial = 'n'   
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
Arginase


(Leishmania amazonensis)
BDBM50521944
PNG
(CHEMBL4204512)
Show SMILES CC(=O)Nc1ccc(C)cc1C(F)(F)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H17F2N3O2/c1-11-8-9-15(20-12(2)23)14(10-11)17(18,19)16(24)22-21-13-6-4-3-5-7-13/h3-10,21H,1-2H3,(H,20,23)(H,22,24)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measu...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521942
PNG
(CHEMBL4216180)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccccc1
Show InChI InChI=1S/C16H15F2N3O2/c1-11(22)19-14-10-6-5-9-13(14)16(17,18)15(23)21-20-12-7-3-2-4-8-12/h2-10,20H,1H3,(H,19,22)(H,21,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.10E+3n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measu...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510706
PNG
(CHEMBL4515068)
Show SMILES Cc1cc(NNC(N)=S)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N7S/c1-3-2-4(15-16-6(12)19)18-7(13-3)14-5(17-18)8(9,10)11/h2,15H,1H3,(H3,12,16,19)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Leishmania amazonensis arginase using L-arginine as substrate incubated for 15 mins


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521943
PNG
(CHEMBL4574177)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F5N3O2/c1-10(26)23-14-5-3-2-4-13(14)16(18,19)15(27)25-24-12-8-6-11(7-9-12)17(20,21)22/h2-9,24H,1H3,(H,23,26)(H,25,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.60E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measu...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521947
PNG
(CHEMBL4530523)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H16F2N2O2/c1-12(22)21-15-10-6-5-9-14(15)17(18,19)16(23)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.20E+4n/an/an/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production by measu...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137118
PNG
(CHEMBL3753575)
Show SMILES CCOC(=O)[C@@]12C[C@]1(CCC=C)c1cc(Br)ccc1NC2=O |r|
Show InChI InChI=1S/C17H18BrNO3/c1-3-5-8-16-10-17(16,15(21)22-4-2)14(20)19-13-7-6-11(18)9-12(13)16/h3,6-7,9H,1,4-5,8,10H2,2H3,(H,19,20)/t16-,17+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137117
PNG
(CHEMBL3754535)
Show SMILES CCCCC[C@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Br)cc21 |r|
Show InChI InChI=1S/C18H22BrNO3/c1-3-5-6-9-17-11-18(17,16(22)23-4-2)15(21)20-14-8-7-12(19)10-13(14)17/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,21)/t17-,18+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137116
PNG
(CHEMBL378856)
Show SMILES COc1ccc2NC(=O)[C@H](CSC)N(C(=O)OC(C)C)c2c1
Show InChI InChI=1S/C15H20N2O4S/c1-9(2)21-15(19)17-12-7-10(20-3)5-6-11(12)16-14(18)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,18)/t13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137113
PNG
(CHEMBL3753096)
Show SMILES CN1C(=O)Nc2ccc(Cl)cc2C1(C#C)C1CC1
Show InChI InChI=1S/C14H13ClN2O/c1-3-14(9-4-5-9)11-8-10(15)6-7-12(11)16-13(18)17(14)2/h1,6-9H,4-5H2,2H3,(H,16,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137112
PNG
(CHEMBL309896)
Show SMILES Clc1ccc2NC(=O)N[C@](C#Cc3ccccn3)(C3CC3)c2c1
Show InChI InChI=1S/C18H14ClN3O/c19-13-6-7-16-15(11-13)18(12-4-5-12,22-17(23)21-16)9-8-14-3-1-2-10-20-14/h1-3,6-7,10-12H,4-5H2,(H2,21,22,23)/t18-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2899
PNG
((4S)-6-chloro-4-[(E)-2-cyclopropylethenyl]-4-(trif...)
Show SMILES FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)\C=C\C1CC1 |r|
Show InChI InChI=1S/C14H12ClF3N2O/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-8H,1-2H2,(H2,19,20,21)/b6-5+/t13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM27577
PNG
(5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...)
Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2898
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H10ClF3N2O/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H2,19,20,21)/t13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

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



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 40n/an/an/an/an/an/a



Instituto de Tecnologia em Fa´rmacos



Assay Description
Biological assay using HIV-1 reverse transcriptase.


Medicinal Chemistry Research 15: 492-510 (2007)


BindingDB Entry DOI: 10.7270/Q2DZ06W4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2955
PNG
(GW420867X | HBY1293 | propan-2-yl (2S)-2-ethyl-7-f...)
Show SMILES CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O |r|
Show InChI InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2912
PNG
((3S,5S)-7-chloro-5-[(E)-2-cyclopropylethenyl]-3-me...)
Show SMILES C[C@@H]1O[C@@](\C=C\C2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
Show InChI InChI=1S/C16H15ClF3NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-10H,2-3H2,1H3,(H,21,22)/b7-6+/t9-,15-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM27576
PNG
(5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...)
Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137114
PNG
(CHEMBL3753238)
Show SMILES CCOC1(N(C)C(=O)Nc2ccc(Cl)cc12)c1ccccc1
Show InChI InChI=1S/C17H17ClN2O2/c1-3-22-17(12-7-5-4-6-8-12)14-11-13(18)9-10-15(14)19-16(21)20(17)2/h4-11H,3H2,1-2H3,(H,19,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137119
PNG
(CHEMBL3753009)
Show SMILES CCOC(=O)[C@@H]1C[C@@]11C(=O)Nc2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C13H12ClNO3/c1-2-18-11(16)9-6-13(9)8-5-7(14)3-4-10(8)15-12(13)17/h3-5,9H,2,6H2,1H3,(H,15,17)/t9-,13-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2906
PNG
((3S,5S)-7-chloro-5-(2-cyclopropylethynyl)-3-methyl...)
Show SMILES C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
Show InChI InChI=1S/C16H13ClF3NO2/c1-9-14(22)21-13-5-4-11(17)8-12(13)15(23-9,16(18,19)20)7-6-10-2-3-10/h4-5,8-10H,2-3H2,1H3,(H,21,22)/t9-,15-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1434
PNG
(11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
Show InChI InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

n/an/a 500n/an/an/an/an/an/a



Instituto de Tecnologia em Fa´rmacos



Assay Description
Biological assay using HIV-1 reverse transcriptase.


Medicinal Chemistry Research 15: 492-510 (2007)


BindingDB Entry DOI: 10.7270/Q2DZ06W4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137120
PNG
(CHEMBL3753006)
Show SMILES [#6]-[#6]-1-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])S(=O)(=O)c2cc(Cl)ccc2-[#7]-[#6]-1=O
Show InChI InChI=1S/C14H17ClN2O3S/c1-9(2)6-7-17-10(3)14(18)16-12-5-4-11(15)8-13(12)21(17,19)20/h4-6,8,10H,7H2,1-3H3,(H,16,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50137115
PNG
(CHEMBL3754170)
Show SMILES O=S1(=NC(=S)Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C13H10N2OS2/c16-18(10-6-2-1-3-7-10)12-9-5-4-8-11(12)14-13(17)15-18/h1-9H,(H,14,15,16,17)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 950n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93122
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 25)
Show SMILES CC(=O)N1C(=O)C(O)(c2cc(Cl)ccc12)C(F)(F)F
Show InChI InChI=1S/C11H7ClF3NO3/c1-5(17)16-8-3-2-6(12)4-7(8)10(19,9(16)18)11(13,14)15/h2-4,19H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.41E+3n/an/an/an/an/an/a



Instituto de Tecnologia em Fa´rmacos



Assay Description
Biological assay using HIV-1 reverse transcriptase.


Medicinal Chemistry Research 15: 492-510 (2007)


BindingDB Entry DOI: 10.7270/Q2DZ06W4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93122
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 25)
Show SMILES CC(=O)N1C(=O)C(O)(c2cc(Cl)ccc12)C(F)(F)F
Show InChI InChI=1S/C11H7ClF3NO3/c1-5(17)16-8-3-2-6(12)4-7(8)10(19,9(16)18)11(13,14)15/h2-4,19H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.41E+3n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93121
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 21)
Show SMILES CN1C(=O)C(O)(c2cc(Br)ccc12)C(F)(F)F
Show InChI InChI=1S/C10H7BrF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.61E+3n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93121
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 21)
Show SMILES CN1C(=O)C(O)(c2cc(Br)ccc12)C(F)(F)F
Show InChI InChI=1S/C10H7BrF3NO2/c1-15-7-3-2-5(11)4-6(7)9(17,8(15)16)10(12,13)14/h2-4,17H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
n/an/a 3.61E+3n/an/an/an/an/an/a



Instituto de Tecnologia em Fa´rmacos



Assay Description
Biological assay using HIV-1 reverse transcriptase.


Medicinal Chemistry Research 15: 492-510 (2007)


BindingDB Entry DOI: 10.7270/Q2DZ06W4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93119
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 16)
Show SMILES OC1(C(=O)Nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-3-1-2-4-6(5)13-7(8)14/h1-4,15H,(H,13,14)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 6.07E+3n/an/an/an/an/an/a



Instituto de Tecnologia em Fa´rmacos



Assay Description
Biological assay using HIV-1 reverse transcriptase.


Medicinal Chemistry Research 15: 492-510 (2007)


BindingDB Entry DOI: 10.7270/Q2DZ06W4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93119
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 16)
Show SMILES OC1(C(=O)Nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-3-1-2-4-6(5)13-7(8)14/h1-4,15H,(H,13,14)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.07E+3n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93120
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 18)
Show SMILES OC1(C(=O)Nc2ccc(Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C9H5ClF3NO2/c10-4-1-2-6-5(3-4)8(16,7(15)14-6)9(11,12)13/h1-3,16H,(H,14,15)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93120
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 18)
Show SMILES OC1(C(=O)Nc2ccc(Cl)cc12)C(F)(F)F
Show InChI InChI=1S/C9H5ClF3NO2/c10-4-1-2-6-5(3-4)8(16,7(15)14-6)9(11,12)13/h1-3,16H,(H,14,15)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 7.10E+3n/an/an/an/an/an/a



Instituto de Tecnologia em Fa´rmacos



Assay Description
Biological assay using HIV-1 reverse transcriptase.


Medicinal Chemistry Research 15: 492-510 (2007)


BindingDB Entry DOI: 10.7270/Q2DZ06W4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93123
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 26)
Show SMILES CC(=O)N1C(=O)C(O)(c2cc(C)ccc12)C(F)(F)F
Show InChI InChI=1S/C12H10F3NO3/c1-6-3-4-9-8(5-6)11(19,12(13,14)15)10(18)16(9)7(2)17/h3-5,19H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8.37E+3n/an/an/an/an/an/a



Instituto de Tecnologia em Fa´rmacos



Assay Description
Biological assay using HIV-1 reverse transcriptase.


Medicinal Chemistry Research 15: 492-510 (2007)


BindingDB Entry DOI: 10.7270/Q2DZ06W4
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM93123
PNG
(3-Hydroxy-2-oxo-3-trifluoromethylindole, 26)
Show SMILES CC(=O)N1C(=O)C(O)(c2cc(C)ccc12)C(F)(F)F
Show InChI InChI=1S/C12H10F3NO3/c1-6-3-4-9-8(5-6)11(19,12(13,14)15)10(18)16(9)7(2)17/h3-5,19H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.37E+3n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 108: 455-65 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.025
BindingDB Entry DOI: 10.7270/Q2G162NX
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510709
PNG
(CHEMBL4571367)
Show SMILES NC(=S)NNc1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C12H11N7S/c13-12(20)18-17-10-9-6-16-19(11(9)15-7-14-10)8-4-2-1-3-5-8/h1-7H,(H3,13,18,20)(H,14,15,17)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli using L-arginine as substrate


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521944
PNG
(CHEMBL4204512)
Show SMILES CC(=O)Nc1ccc(C)cc1C(F)(F)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H17F2N3O2/c1-11-8-9-15(20-12(2)23)14(10-11)17(18,19)16(24)22-21-13-6-4-3-5-7-13/h3-10,21H,1-2H3,(H,20,23)(H,22,24)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production using L-arginine as ...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521942
PNG
(CHEMBL4216180)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccccc1
Show InChI InChI=1S/C16H15F2N3O2/c1-11(22)19-14-10-6-5-9-13(14)16(17,18)15(23)21-20-12-7-3-2-4-8-12/h2-10,20H,1H3,(H,19,22)(H,21,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production using L-arginine as ...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510706
PNG
(CHEMBL4515068)
Show SMILES Cc1cc(NNC(N)=S)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N7S/c1-3-2-4(15-16-6(12)19)18-7(13-3)14-5(17-18)8(9,10)11/h2,15H,1H3,(H3,12,16,19)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Leishmania amazonensis arginase using L-arginine as substrate incubated for 15 mins


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510706
PNG
(CHEMBL4515068)
Show SMILES Cc1cc(NNC(N)=S)n2nc(nc2n1)C(F)(F)F
Show InChI InChI=1S/C8H8F3N7S/c1-3-2-4(15-16-6(12)19)18-7(13-3)14-5(17-18)8(9,10)11/h2,15H,1H3,(H3,12,16,19)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli using L-arginine as substrate


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521947
PNG
(CHEMBL4530523)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H16F2N2O2/c1-12(22)21-15-10-6-5-9-14(15)17(18,19)16(23)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,23)(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production using L-arginine as ...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521943
PNG
(CHEMBL4574177)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F5N3O2/c1-10(26)23-14-5-3-2-4-13(14)16(18,19)15(27)25-24-12-8-6-11(7-9-12)17(20,21)22/h2-9,24H,1H3,(H,23,26)(H,25,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production using L-arginine as ...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510711
PNG
(CHEMBL4467463)
Show SMILES NC(=S)NNc1ncnc2n(ncc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H10F3N7S/c14-13(15,16)7-1-3-8(4-2-7)23-11-9(5-20-23)10(18-6-19-11)21-22-12(17)24/h1-6H,(H3,17,22,24)(H,18,19,21)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli using L-arginine as substrate


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521945
PNG
(CHEMBL4216693)
Show SMILES CC(=O)Nc1ccc(C)cc1C(F)(F)C(=O)NNc1ccccn1
Show InChI InChI=1S/C16H16F2N4O2/c1-10-6-7-13(20-11(2)23)12(9-10)16(17,18)15(24)22-21-14-5-3-4-8-19-14/h3-9H,1-2H3,(H,19,21)(H,20,23)(H,22,24)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production using L-arginine as ...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50521946
PNG
(CHEMBL4211729)
Show SMILES CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccccn1
Show InChI InChI=1S/C15H14F2N4O2/c1-10(22)19-12-7-3-2-6-11(12)15(16,17)14(23)21-20-13-8-4-5-9-18-13/h2-9H,1H3,(H,18,20)(H,19,22)(H,21,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli assessed as reduction in urea production using L-arginine as ...


Bioorg Med Chem 27: 3853-3859 (2019)


Article DOI: 10.1016/j.bmc.2019.07.022
BindingDB Entry DOI: 10.7270/Q27D2ZJF
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510710
PNG
(CHEMBL4438412)
Show SMILES NC(=S)NNc1ncnc2n(ncc12)-c1ccc(F)cc1
Show InChI InChI=1S/C12H10FN7S/c13-7-1-3-8(4-2-7)20-11-9(5-17-20)10(15-6-16-11)18-19-12(14)21/h1-6H,(H3,14,19,21)(H,15,16,18)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli using L-arginine as substrate


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510707
PNG
(CHEMBL4541649)
Show SMILES NC(=S)NNc1ncnc2n(ncc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C13H10N8S/c14-5-8-1-3-9(4-2-8)21-12-10(6-18-21)11(16-7-17-12)19-20-13(15)22/h1-4,6-7H,(H3,15,20,22)(H,16,17,19)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli using L-arginine as substrate


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510708
PNG
(CHEMBL4456185)
Show SMILES Cc1ccc(cc1)-n1ncc2c(NNC(N)=S)ncnc12
Show InChI InChI=1S/C13H13N7S/c1-8-2-4-9(5-3-8)20-12-10(6-17-20)11(15-7-16-12)18-19-13(14)21/h2-7H,1H3,(H3,14,19,21)(H,15,16,18)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli using L-arginine as substrate


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50510712
PNG
(CHEMBL4570250)
Show SMILES NC(=S)NNc1ncnc2n(ncc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10ClN7S/c13-7-1-3-8(4-2-7)20-11-9(5-17-20)10(15-6-16-11)18-19-12(14)21/h1-6H,(H3,14,19,21)(H,15,16,18)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Instituto de Tecnologia em Farmacos

Curated by ChEMBL


Assay Description
Inhibition of recombinant Leishmania amazonensis arginase expressed in Escherichia coli using L-arginine as substrate


Bioorg Med Chem 27: 3061-3069 (2019)


Article DOI: 10.1016/j.bmc.2019.05.026
BindingDB Entry DOI: 10.7270/Q2SX6HJQ
More data for this
Ligand-Target Pair