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Compile Data Set for Download or QSAR

Found 32 hits of ic50 data for polymerid = 50006481   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arginase


(Leishmania amazonensis)
BDBM50446567
PNG
(CHEMBL3109443)
Show SMILES CC(=O)O[C@H]1[C@@H](Oc2cc(OC(C)=O)cc(OC(C)=O)c2C1=O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C21H18O10/c1-9(22)28-13-7-16(29-10(2)23)18-17(8-13)31-20(21(19(18)27)30-11(3)24)12-4-5-14(25)15(26)6-12/h4-8,20-21,25-26H,1-3H3/t20-,21+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50241354
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50446568
PNG
(CHEMBL3109439)
Show SMILES C[C@H]1O[C@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-22,24-30H,1H3/t6-,14-,17+,18+,21-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50446571
PNG
(CHEMBL3109442)
Show SMILES CC(=O)O[C@H]1[C@@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C17H14O8/c1-7(18)24-17-15(23)14-12(22)5-9(19)6-13(14)25-16(17)8-2-3-10(20)11(21)4-8/h2-6,16-17,19-22H,1H3/t16-,17+/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50446570
PNG
(CHEMBL3109444)
Show SMILES CC(=O)O[C@H]1[C@@H](Oc2cc(OC(C)=O)cc(OC(C)=O)c2C1=O)c1ccc(OC(C)=O)c(OC(C)=O)c1 |r|
Show InChI InChI=1S/C25H22O12/c1-11(26)32-17-9-20(35-14(4)29)22-21(10-17)37-24(25(23(22)31)36-15(5)30)16-6-7-18(33-12(2)27)19(8-16)34-13(3)28/h6-10,24-25H,1-5H3/t24-,25+/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
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)
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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)
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)
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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)
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)
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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)
BDBM84978
PNG
(Quercitrin | cid_5280459)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-24,26-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50349826
PNG
(SYRINGARESINOL)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
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)
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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)
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)
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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)
BDBM50446569
PNG
(Trigonostemone)
Show SMILES COC1=Cc2c(cc(OC)c3cc(C)c(OC)cc23)C(C)(C)C1=O |t:2|
Show InChI InChI=1S/C20H22O4/c1-11-7-14-12(8-16(11)22-4)13-9-18(24-6)19(21)20(2,3)15(13)10-17(14)23-5/h7-10H,1-6H3
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n/an/a 1.66E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50446572
PNG
(CHEMBL3109441)
Show SMILES C[C@@H]1O[C@@H](O[C@H]2[C@@H](Oc3cc(O)cc(O)c3C2=O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19-,20+,21-/m0/s1
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n/an/a 3.51E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
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)
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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)
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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)
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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)
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 5.50E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50446575
PNG
(CHEMBL3109437)
Show SMILES COc1ccc(cc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-13(30-2)11(24)5-9/h3-8,16,18-19,22-24,26-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1
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n/an/a 8.81E+4n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
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)
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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)
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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)
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)
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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)
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)
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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)
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)
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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)
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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)
BDBM50404746
PNG
(NSC-115919 | PENTAACETYLQUERCETIN)
Show SMILES CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(C)=O)c1)c(OC(C)=O)c2=O
Show InChI InChI=1S/C25H20O12/c1-11(26)32-17-9-20(35-14(4)29)22-21(10-17)37-24(25(23(22)31)36-15(5)30)16-6-7-18(33-12(2)27)19(8-16)34-13(3)28/h6-10H,1-5H3
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n/an/a 1.21E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50446573
PNG
(CHEMBL3109440)
Show SMILES COc1cc(cc(OC)c1OC)-c1oc2cc(OC)c(OC)c(OC)c2c(=O)c1OC
Show InChI InChI=1S/C22H24O9/c1-24-13-8-11(9-14(25-2)19(13)27-4)18-22(30-7)17(23)16-12(31-18)10-15(26-3)20(28-5)21(16)29-6/h8-10H,1-7H3
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n/an/a 1.28E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair
Arginase


(Leishmania amazonensis)
BDBM50446574
PNG
(CHEMBL3109438)
Show SMILES COc1c(O)cc(cc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-23,25-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1
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n/an/a 2.24E+5n/an/an/an/an/an/a



Universidade Federal de S£o Carlos

Curated by ChEMBL


Assay Description
Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated f...


J Nat Prod 77: 392-6 (2014)


Article DOI: 10.1021/np400717m
BindingDB Entry DOI: 10.7270/Q2VX0J09
More data for this
Ligand-Target Pair