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PubChem AID 1445

Compile Data Set for Download or QSAR

Found 673 hits of Enzyme Inhibition Constant Data   
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
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53946
PNG
(4-[(N'E)-N'-(6-ketocyclohexa-2,4-dien-1-ylidene)hy...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O |w:13.14|
Show InChI InChI=1S/C16H14N4O2/c1-11-15(18-17-13-9-5-6-10-14(13)21)16(22)20(19-11)12-7-3-2-4-8-12/h2-10,19,21H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53869
PNG
((4-{[(2-[(2,6-dimethylphenoxy)methyl]-4-oxo-3(4H)-...)
Show SMILES Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1N=Cc1ccc(OCC(O)=O)cc1
Show InChI InChI=1S/C26H23N3O5/c1-17-6-5-7-18(2)25(17)34-15-23-28-22-9-4-3-8-21(22)26(32)29(23)27-14-19-10-12-20(13-11-19)33-16-24(30)31/h3-14H,15-16H2,1-2H3,(H,30,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM50536
PNG
(MLS000685727 | N-[(5Z)-5-(5-bromanyl-2-oxidanylide...)
Show SMILES Brc1ccc2NC(=O)\C(=C3/SC(=S)N(NS(=O)(=O)c4ccccc4)C3=O)c2c1
Show InChI InChI=1S/C17H10BrN3O4S3/c18-9-6-7-12-11(8-9)13(15(22)19-12)14-16(23)21(17(26)27-14)20-28(24,25)10-4-2-1-3-5-10/h1-8,20H,(H,19,22)/b14-13-
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n/an/a 1.00E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53650
PNG
(1-Phenylmethanesulfonyl-piperidine-4-carboxylic ac...)
Show SMILES Fc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C20H23FN2O3S/c21-19-8-4-7-17(13-19)14-22-20(24)18-9-11-23(12-10-18)27(25,26)15-16-5-2-1-3-6-16/h1-8,13,18H,9-12,14-15H2,(H,22,24)
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n/an/a 1.71E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53702
PNG
(1-[(5-bromo-2-thienyl)sulfonyl]-N-piperonyl-isonip...)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C18H19BrN2O5S2/c19-16-3-4-17(27-16)28(23,24)21-7-5-13(6-8-21)18(22)20-10-12-1-2-14-15(9-12)26-11-25-14/h1-4,9,13H,5-8,10-11H2,(H,20,22)
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n/an/a 2.11E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM48805
PNG
(3-[(3-ethyl-5-{[5-(2-methoxy-4-nitrophenyl)-2-fury...)
Show SMILES CCN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C/c1ccc(o1)-c1ccc(cc1OC)[N+]([O-])=O
Show InChI InChI=1S/C24H19N3O7S/c1-3-26-22(28)21(35-24(26)25-15-6-4-5-14(11-15)23(29)30)13-17-8-10-19(34-17)18-9-7-16(27(31)32)12-20(18)33-2/h4-13H,3H2,1-2H3,(H,29,30)/b21-13+,25-24-
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n/an/a 2.20E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54017
PNG
(5-((4Z)-4-{[5-(4-carboxyphenyl)-2-furyl]methylene}...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(C=c2c(=C)[nH]n(-c3ccc(Cl)c(c3)C(O)=O)c2=O)o1 |w:13.13|
Show InChI InChI=1S/C23H15ClN2O6/c1-12-17(21(27)26(25-12)15-6-8-19(24)18(10-15)23(30)31)11-16-7-9-20(32-16)13-2-4-14(5-3-13)22(28)29/h2-11,25H,1H2,(H,28,29)(H,30,31)
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n/an/a 2.41E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53958
PNG
(CHEMBL1319666 | MLS000717879 | N-[[2-(4-bromanylph...)
Show SMILES CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1
Show InChI InChI=1S/C11H12BrN3O3S/c1-7(16)13-11(19)15-14-10(17)6-18-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,14,17)(H2,13,15,16,19)
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n/an/a 2.57E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53721
PNG
((4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dim...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM46571
PNG
(4-({[4-(2-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cy...)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccccc2F)cc1 |c:19|
Show InChI InChI=1S/C25H21FN2O4S/c26-22-7-2-1-4-20(22)24-19-6-3-5-18(19)21-14-17(12-13-23(21)27-24)33(31,32)28-16-10-8-15(9-11-16)25(29)30/h1-5,7-14,18-19,24,27-28H,6H2,(H,29,30)
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n/an/a 2.75E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM41928
PNG
(MLS000571481 | N-(3,3-diphenylpropyl)-2-(5-morphol...)
Show SMILES O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H28N2O4S2/c28-24(19-22-11-12-25(32-22)33(29,30)27-15-17-31-18-16-27)26-14-13-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,23H,13-19H2,(H,26,28)
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n/an/a 2.76E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54092
PNG
(2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid [1...)
Show SMILES Cc1cc(c[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C17H14N3O6/c1-10-6-12(20(23)24)7-11(16(10)21)8-18-19-17(22)15-9-25-13-4-2-3-5-14(13)26-15/h2-8,15H,9H2,1H3,(H,19,22)/q-1/p+1/b18-8+
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n/an/a 3.05E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53912
PNG
(MLS000705157 | N-[(5Z)-5-(1-acetyl-2-keto-indolin-...)
Show SMILES CC(=O)N1C(=O)C(=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c2ccccc12 |w:6.26|
Show InChI InChI=1S/C20H15N3O5S3/c1-11-7-9-13(10-8-11)31(27,28)21-23-19(26)17(30-20(23)29)16-14-5-3-4-6-15(14)22(12(2)24)18(16)25/h3-10,21H,1-2H3
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n/an/a 3.22E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53947
PNG
(4-[(N'E)-N'-(6-ketocyclohexa-2,4-dien-1-ylidene)hy...)
Show SMILES Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O |w:19.21|
Show InChI InChI=1S/C20H17N5O2S/c1-12-7-9-14(10-8-12)16-11-28-20(21-16)25-19(27)18(13(2)24-25)23-22-15-5-3-4-6-17(15)26/h3-11,24,26H,1-2H3
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n/an/a 3.37E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53883
PNG
(4-amino-N'-[(E)-(3-bromo-6-keto-cyclohexa-2,4-dien...)
Show SMILES Nc1nonc1C(=O)NN=Cc1cc(Br)ccc1O |w:9.9|
Show InChI InChI=1S/C10H8BrN5O3/c11-6-1-2-7(17)5(3-6)4-13-14-10(18)8-9(12)16-19-15-8/h1-4,17H,(H2,12,16)(H,14,18)
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n/an/a 3.45E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM47291
PNG
(3-hydroxy-N-[(5Z)-4-keto-5-(2-ketoindolin-3-yliden...)
Show SMILES Oc1cccc(c1)C(=O)NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H11N3O4S2/c22-10-5-3-4-9(8-10)15(23)20-21-17(25)14(27-18(21)26)13-11-6-1-2-7-12(11)19-16(13)24/h1-8,22H,(H,19,24)(H,20,23)/b14-13-
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n/an/a 4.08E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM50709
PNG
(2-[[4-[2-[(4-methoxyphenyl)carbamothioyl]hydraziny...)
Show SMILES COc1ccc(NC(=S)NNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C21H19N5O7S2/c1-33-14-8-6-13(7-9-14)22-21(34)24-23-18-11-10-15(12-19(18)26(29)30)35(31,32)25-17-5-3-2-4-16(17)20(27)28/h2-12,23,25H,1H3,(H,27,28)(H2,22,24,34)
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n/an/a 4.17E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53906
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Show InChI InChI=1S/C28H22ClN3O4/c29-19-11-12-21-20(15-19)26(18-9-5-2-6-10-18)27(28(36)30-21)22-16-23(17-7-3-1-4-8-17)32(31-22)24(33)13-14-25(34)35/h1-12,15,23H,13-14,16H2,(H,30,36)(H,34,35)
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n/an/a 4.60E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM52174
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-N-(thiophen-2-...)
Show SMILES Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
Show InChI InChI=1S/C15H17BrN2O3S3/c16-13-3-4-14(23-13)24(20,21)18-7-5-11(6-8-18)15(19)17-10-12-2-1-9-22-12/h1-4,9,11H,5-8,10H2,(H,17,19)
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n/an/a 4.67E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM50237
PNG
((phenylmethyl) N-[3-(1H-indol-3-yl)-1-[2-[(E)-(3-m...)
Show SMILES COc1c[c-](C=[NH+]NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+]([O-])=O)c1=O |w:6.6|
Show InChI InChI=1S/C27H24N5O7/c1-38-24-12-18(11-23(25(24)33)32(36)37)14-29-31-26(34)22(13-19-15-28-21-10-6-5-9-20(19)21)30-27(35)39-16-17-7-3-2-4-8-17/h2-12,14-15,22,28H,13,16H2,1H3,(H,30,35)(H,31,34)/q-1/p+1
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n/an/a 4.75E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53950
PNG
(4-[(3Z)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES COc1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|
Show InChI InChI=1S/C29H24ClN3O5/c1-38-20-10-7-17(8-11-20)24-16-23(32-33(24)25(34)13-14-26(35)36)28-27(18-5-3-2-4-6-18)21-15-19(30)9-12-22(21)31-29(28)37/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
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n/an/a 4.93E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM50252
PNG
((6Z)-5-azanylidene-6-[[1-(4-chlorophenyl)pyrrol-2-...)
Show SMILES CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccc(Cl)cc3)C(=N)N12 |t:4,7|
Show InChI InChI=1S/C17H12ClN5O3S2/c1-28(25,26)17-21-27-16-20-15(24)13(14(19)23(16)17)9-12-3-2-8-22(12)11-6-4-10(18)5-7-11/h2-9,19H,1H3/b13-9-,19-14?
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n/an/a 5.15E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM39915
PNG
(2-[(5-chloro-2-hydroxy-anilino)methylene]-5-(2-fur...)
Show SMILES Oc1ccc(Cl)cc1NC=C1C(=O)CC(CC1=O)c1ccco1 |(3.91,-3.81,;5.24,-4.58,;5.24,-6.12,;6.57,-6.89,;7.91,-6.12,;9.24,-6.89,;7.91,-4.58,;6.57,-3.81,;6.57,-2.27,;7.91,-1.5,;7.91,.04,;6.57,.81,;5.24,.04,;6.57,2.35,;7.91,3.12,;9.24,2.35,;9.24,.81,;10.58,.04,;8.68,4.45,;8.05,5.86,;9.2,6.89,;10.53,6.12,;10.21,4.61,)|
Show InChI InChI=1S/C17H14ClNO4/c18-11-3-4-14(20)13(8-11)19-9-12-15(21)6-10(7-16(12)22)17-2-1-5-23-17/h1-5,8-10,19-20H,6-7H2/b12-9-
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n/an/a 5.58E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53992
PNG
((2E)-2-[[(2-chlorobenzyl)amino]methylene]-4H-1,4-b...)
Show SMILES Clc1ccccc1CN=CC1Sc2ccccc2NC1=O |w:8.8|
Show InChI InChI=1S/C16H13ClN2OS/c17-12-6-2-1-5-11(12)9-18-10-15-16(20)19-13-7-3-4-8-14(13)21-15/h1-8,10,15H,9H2,(H,19,20)
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n/an/a 5.63E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53832
PNG
(4-[(3E)-3-(6-chloranyl-2-oxidanylidene-4-phenyl-qu...)
Show SMILES OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
Show InChI InChI=1S/C26H20ClN3O4S/c27-16-8-9-18-17(13-16)24(15-5-2-1-3-6-15)25(26(34)28-18)19-14-20(21-7-4-12-35-21)30(29-19)22(31)10-11-23(32)33/h1-9,12-13,20H,10-11,14H2,(H,28,34)(H,32,33)
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n/an/a 5.76E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM50198
PNG
((2Z)-2-(2-bromo-4-hydroxy-5-methoxy-benzylidene)-4...)
Show SMILES COc1cc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(Br)cc1O
Show InChI InChI=1S/C17H10BrNO6/c1-25-14-6-8(11(18)7-13(14)20)5-10-16(21)9-3-2-4-12(19(23)24)15(9)17(10)22/h2-7,20H,1H3/b10-5-
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n/an/a 5.94E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM48684
PNG
((6E)-2-bromanyl-6-[[2-(1-naphthalen-1-yl-1,2,3,4-t...)
Show SMILES Oc1c(Br)cc(cc1CN=Nc1nnnn1-c1cccc2ccccc12)[N+]([O-])=O |w:10.11|
Show InChI InChI=1S/C18H12BrN7O3/c19-15-9-13(26(28)29)8-12(17(15)27)10-20-21-18-22-23-24-25(18)16-7-3-5-11-4-1-2-6-14(11)16/h1-9,27H,10H2
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n/an/a 6.79E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53743
PNG
(MLS000537765 | N-[[5-[2-(5-chloro-2-methylanilino)...)
Show SMILES CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C19H20ClN5O2S2/c1-3-25-16(10-21-18(27)15-5-4-8-28-15)23-24-19(25)29-11-17(26)22-14-9-13(20)7-6-12(14)2/h4-9H,3,10-11H2,1-2H3,(H,21,27)(H,22,26)
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n/an/a 6.86E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53901
PNG
(MLS000727699 | N-(4'-oxo-1',4'-dihydro...)
Show SMILES O=C(NN1C(=O)c2ccccc2NC11CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H21N3O2/c24-18(15-9-3-1-4-10-15)22-23-19(25)16-11-5-6-12-17(16)21-20(23)13-7-2-8-14-20/h1,3-6,9-12,21H,2,7-8,13-14H2,(H,22,24)
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n/an/a 6.87E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54147
PNG
(2-[(2-{[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thien...)
Show SMILES Cc1csc(NC(=O)CSCC(O)=O)c1-c1nc2ccccc2s1
Show InChI InChI=1S/C16H14N2O3S3/c1-9-6-23-15(18-12(19)7-22-8-13(20)21)14(9)16-17-10-4-2-3-5-11(10)24-16/h2-6H,7-8H2,1H3,(H,18,19)(H,20,21)
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n/an/a 7.09E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54031
PNG
(5-carboxypentyl-[2-(4-methoxyphenyl)-6-methyl-1-be...)
Show SMILES COc1ccc(cc1)-c1c\c(=[NH+]/CCCCCC(O)=O)c2cc(C)ccc2o1
Show InChI InChI=1S/C23H25NO4/c1-16-7-12-21-19(14-16)20(24-13-5-3-4-6-23(25)26)15-22(28-21)17-8-10-18(27-2)11-9-17/h7-12,14-15H,3-6,13H2,1-2H3,(H,25,26)/p+1/b24-20+
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n/an/a 7.22E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53778
PNG
(2-(4-ethoxy-8-methyl-2-quinazolinyl)guanidine | 2-...)
Show SMILES [#6]-[#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])nc2c(-[#6])cccc12
Show InChI InChI=1S/C12H15N5O/c1-3-18-10-8-6-4-5-7(2)9(8)15-12(16-10)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
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n/an/a 7.38E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54098
PNG
(MLS000769597 | N-[2-Methyl-5-(3-methyl-4-oxo-3,4-d...)
Show SMILES Cc1ccc(cc1CNC(=O)c1ccccc1)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C24H21N3O2/c1-16-12-13-18(14-19(16)15-25-23(28)17-8-4-3-5-9-17)22-20-10-6-7-11-21(20)24(29)27(2)26-22/h3-14H,15H2,1-2H3,(H,25,28)
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n/an/a 7.39E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54025
PNG
(2,4-diketo-7-(3-nitrophenyl)-1H-pyrido[2,3-d]pyrim...)
Show SMILES CCOC(=O)c1cc(nc2[nH]c(=O)[nH]c(=O)c12)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O6/c1-2-26-15(22)10-7-11(8-4-3-5-9(6-8)20(24)25)17-13-12(10)14(21)19-16(23)18-13/h3-7H,2H2,1H3,(H2,17,18,19,21,23)
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n/an/a 7.44E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54075
PNG
(2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-methyl-p...)
Show SMILES CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C25H26N4O6S/c1-14(2)13-21(29-24(31)19-7-5-6-8-20(19)25(29)32)22(30)26-17-9-11-18(12-10-17)36(33,34)28-23-15(3)16(4)27-35-23/h5-12,14,21,28H,13H2,1-4H3,(H,26,30)
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n/an/a 7.56E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54077
PNG
(2-Hydroxy-benzoic acid N'-{1-[1-benzyl-2,4,6-t...)
Show SMILES CCC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:14.30|
Show InChI InChI=1S/C21H20N4O5/c1-2-15(23-24-18(27)14-10-6-7-11-16(14)26)17-19(28)22-21(30)25(20(17)29)12-13-8-4-3-5-9-13/h3-11,23,26H,2,12H2,1H3,(H,24,27)(H,22,28,30)
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n/an/a 7.80E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54087
PNG
(Isonicotinic acid [1-(5-bromo-2-hydroxy-phenyl)-me...)
Show SMILES Oc1ccc(Br)cc1C=NNC(=O)c1ccncc1 |w:9.10|
Show InChI InChI=1S/C13H10BrN3O2/c14-11-1-2-12(18)10(7-11)8-16-17-13(19)9-3-5-15-6-4-9/h1-8,18H,(H,17,19)
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n/an/a 7.95E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53838
PNG
(MLS000705209 | N'-(5-bromo-2-hydroxybenzyliden...)
Show SMILES Oc1ccc(Br)cc1C=NNC(=O)c1ccccc1Cl |w:9.10|
Show InChI InChI=1S/C14H10BrClN2O2/c15-10-5-6-13(19)9(7-10)8-17-18-14(20)11-3-1-2-4-12(11)16/h1-8,19H,(H,18,20)
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n/an/a 8.06E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53655
PNG
(1-[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-pi...)
Show SMILES Fc1ccc2n(nnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H19FN4O4S/c20-13-1-3-17-16(11-13)21-22-24(17)14-5-7-23(8-6-14)29(25,26)15-2-4-18-19(12-15)28-10-9-27-18/h1-4,11-12,14H,5-10H2
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n/an/a 8.18E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53999
PNG
(2-[3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulf...)
Show SMILES Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)Nc4cccc(Cl)c4C)nnc3c2c1
Show InChI InChI=1S/C21H18ClN5O3S/c1-11-6-7-16-13(8-11)19-20(27(16)9-18(29)30)24-21(26-25-19)31-10-17(28)23-15-5-3-4-14(22)12(15)2/h3-8H,9-10H2,1-2H3,(H,23,28)(H,29,30)
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n/an/a 8.42E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53972
PNG
(MLS000710135 | N-(2-cyclobutyl-4-keto-quinazolin-3...)
Show SMILES O=C(Nn1c(nc2ccccc2c1=O)C1CCC1)c1cccs1
Show InChI InChI=1S/C17H15N3O2S/c21-16(14-9-4-10-23-14)19-20-15(11-5-3-6-11)18-13-8-2-1-7-12(13)17(20)22/h1-2,4,7-11H,3,5-6H2,(H,19,21)
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n/an/a 8.54E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54150
PNG
(2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfany...)
Show SMILES Brc1ccc(cc1)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C17H10BrN3O2S2/c18-11-5-3-10(4-6-11)13(22)9-25-17-20-15(14-2-1-7-24-14)12(8-19)16(23)21-17/h1-7H,9H2,(H,20,21,23)
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n/an/a 8.88E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54118
PNG
(2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[2-(4...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(s2)S(=O)(=O)N2CCCC2)cc1
Show InChI InChI=1S/C18H23N3O5S3/c19-28(23,24)16-6-3-14(4-7-16)9-10-20-17(22)13-15-5-8-18(27-15)29(25,26)21-11-1-2-12-21/h3-8H,1-2,9-13H2,(H,20,22)(H2,19,23,24)
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n/an/a 8.91E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53868
PNG
((4-{[(4-oxo-2-(phenoxymethyl)-3(4H)-quinazolinyl)i...)
Show SMILES OC(=O)COc1ccc(C=Nn2c(COc3ccccc3)nc3ccccc3c2=O)cc1
Show InChI InChI=1S/C24H19N3O5/c28-23(29)16-32-19-12-10-17(11-13-19)14-25-27-22(15-31-18-6-2-1-3-7-18)26-21-9-5-4-8-20(21)24(27)30/h1-14H,15-16H2,(H,28,29)
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n/an/a 8.94E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM53927
PNG
(1-[(5-bromanylthiophen-2-yl)carbonylamino]-3-(2-ph...)
Show SMILES Brc1ccc(s1)C(=O)NNC(=S)NCCc1ccccc1
Show InChI InChI=1S/C14H14BrN3OS2/c15-12-7-6-11(21-12)13(19)17-18-14(20)16-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,19)(H2,16,18,20)
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n/an/a 9.19E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM54023
PNG
(6-[(2-chlorobenzyl)thio]-1,2-dihydropyrazolo[3,4-d...)
Show SMILES Clc1ccccc1CSc1nc2n[nH]cc2c(=O)[nH]1
Show InChI InChI=1S/C12H9ClN4OS/c13-9-4-2-1-3-7(9)6-19-12-15-10-8(5-14-17-10)11(18)16-12/h1-5H,6H2,(H2,14,15,16,17,18)
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n/an/a 9.30E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM52773
PNG
(MLS000777231 | N-[(5Z)-5-(1-ethyl-2-keto-indolin-3...)
Show SMILES CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
Show InChI InChI=1S/C20H15N3O4S2/c1-2-22-13-9-5-3-7-11(13)15(18(22)26)16-19(27)23(20(28)29-16)21-17(25)12-8-4-6-10-14(12)24/h3-10,24H,2H2,1H3,(H,21,25)/b16-15-
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n/an/a 9.43E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM50725
PNG
(2-Chloro-5-{5-[(naphtho[2,1-b]furan-2-carbonyl)-hy...)
Show SMILES OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)o1 |w:15.16|
Show InChI InChI=1S/C25H15ClN2O5/c26-20-8-5-15(11-19(20)25(30)31)21-10-7-16(32-21)13-27-28-24(29)23-12-18-17-4-2-1-3-14(17)6-9-22(18)33-23/h1-13H,(H,28,29)(H,30,31)
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n/an/a 9.45E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM50503
PNG
(2-hydroxy-4-[[4-(2-ketochromen-3-yl)thiazol-2-yl]a...)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1O
Show InChI InChI=1S/C19H12N2O5S/c22-15-8-11(5-6-12(15)17(23)24)20-19-21-14(9-27-19)13-7-10-3-1-2-4-16(10)26-18(13)25/h1-9,22H,(H,20,21)(H,23,24)
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n/an/a 9.70E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))		BDBM50541
PNG
((6Z)-6-[(2,5-dimethyl-1H-indol-3-yl)methylene]-5-i...)
Show SMILES CC(C)S(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12 |c:17|
Show InChI InChI=1S/C19H19N5O3S2/c1-9(2)29(26,27)19-23-28-18-22-17(25)14(16(20)24(18)19)8-12-11(4)21-15-6-5-10(3)7-13(12)15/h5-9H,20H2,1-4H3/b12-8+
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n/an/a 9.85E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%