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PubMed code 19908842

Compile data set for download or QSAR
Found 84 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
Cruzipain


(Trypanosoma cruzi)		BDBM50303409
PNG
(4-amino-6-(diphenylamino)-1,3,5-triazine-2-carboni...)
Show SMILES Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)C#N
Show InChI InChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21)
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 180n/an/an/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 0.200n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cruzipain


(Trypanosoma cruzi)		BDBM50303422
PNG
(6-(3-chlorophenylamino)-9-cyclopentyl-9H-purine-2-...)
Show SMILES Clc1cccc(Nc2nc(nc3n(cnc23)C2CCCC2)C#N)c1
Show InChI InChI=1S/C17H15ClN6/c18-11-4-3-5-12(8-11)21-16-15-17(23-14(9-19)22-16)24(10-20-15)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7H2,(H,21,22,23)
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n/an/a 0.300n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303421
PNG
(6-(3-Chlorophenylamino)-9-ethyl-9H-purine-2-carbon...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H11ClN6/c1-2-21-8-17-12-13(19-11(7-16)20-14(12)21)18-10-5-3-4-9(15)6-10/h3-6,8H,2H2,1H3,(H,18,19,20)
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n/an/a 0.400n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303419
PNG
(4-(2,2-difluoroethylamino)-6-(3,5-difluorophenylam...)
Show SMILES FC(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)C#N
Show InChI InChI=1S/C12H8F4N6/c13-6-1-7(14)3-8(2-6)19-12-21-10(4-17)20-11(22-12)18-5-9(15)16/h1-3,9H,5H2,(H2,18,19,20,21,22)
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n/an/a 1n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303434
PNG
(4-(cyclopentylamino)-6-(3-nitrophenylamino)-1,3,5-...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15N7O2/c16-9-13-19-14(17-10-4-1-2-5-10)21-15(20-13)18-11-6-3-7-12(8-11)22(23)24/h3,6-8,10H,1-2,4-5H2,(H2,17,18,19,20,21)
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n/an/a 1n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303410
PNG
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 2n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303411
PNG
(4-(3-bromophenylamino)-6-(cyclopentylamino)-1,3,5-...)
Show SMILES Brc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15BrN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 2n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303435
PNG
(4-(cyclopentylamino)-6-(3-fluorophenylamino)-1,3,5...)
Show SMILES Fc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15FN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303418
PNG
(4-(cyclopentylamino)-6-(3,5-dichlorophenylamino)-1...)
Show SMILES Clc1cc(Cl)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14Cl2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cruzipain


(Trypanosoma cruzi)		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 13n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303437
PNG
(9-cyclopentyl-6-(3,5-difluorophenylamino)-9H-purin...)
Show SMILES Fc1cc(F)cc(Nc2nc(nc3n(cnc23)C2CCCC2)C#N)c1
Show InChI InChI=1S/C17H14F2N6/c18-10-5-11(19)7-12(6-10)22-16-15-17(24-14(8-20)23-16)25(9-21-15)13-3-1-2-4-13/h5-7,9,13H,1-4H2,(H,22,23,24)
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n/an/a 18n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303421
PNG
(6-(3-Chlorophenylamino)-9-ethyl-9H-purine-2-carbon...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H11ClN6/c1-2-21-8-17-12-13(19-11(7-16)20-14(12)21)18-10-5-3-4-9(15)6-10/h3-6,8H,2H2,1H3,(H,18,19,20)
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n/an/a 18n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303419
PNG
(4-(2,2-difluoroethylamino)-6-(3,5-difluorophenylam...)
Show SMILES FC(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)C#N
Show InChI InChI=1S/C12H8F4N6/c13-6-1-7(14)3-8(2-6)19-12-21-10(4-17)20-11(22-12)18-5-9(15)16/h1-3,9H,5H2,(H2,18,19,20,21,22)
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n/an/a 25n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303412
PNG
(4-(cyclopentylamino)-6-(4-fluorophenylamino)-1,3,5...)
Show SMILES Fc1ccc(Nc2nc(NC3CCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C15H15FN6/c16-10-5-7-12(8-6-10)19-15-21-13(9-17)20-14(22-15)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,18,19,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303413
PNG
(4-(cyclopentylamino)-6-(m-tolylamino)-1,3,5-triazi...)
Show SMILES Cc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C16H18N6/c1-11-5-4-8-13(9-11)19-16-21-14(10-17)20-15(22-16)18-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7H2,1H3,(H2,18,19,20,21,22)
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n/an/a 30n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50303441
PNG
(9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-18-13-12-14(21-11(6-17)20-13)22(7-19-12)10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,18,20,21)
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n/an/a 33.1n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of papaya papain

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 34.7n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin C

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303422
PNG
(6-(3-chlorophenylamino)-9-cyclopentyl-9H-purine-2-...)
Show SMILES Clc1cccc(Nc2nc(nc3n(cnc23)C2CCCC2)C#N)c1
Show InChI InChI=1S/C17H15ClN6/c18-11-4-3-5-12(8-11)21-16-15-17(23-14(9-19)22-16)24(10-20-15)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7H2,(H,21,22,23)
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n/an/a 40n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303416
PNG
(4-(cyclopentylamino)-6-(3-(trifluoromethyl)phenyla...)
Show SMILES FC(F)(F)c1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C16H15F3N6/c17-16(18,19)10-4-3-7-12(8-10)22-15-24-13(9-20)23-14(25-15)21-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,21,22,23,24,25)
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n/an/a 40n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 44.7n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of papaya papain

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303438
PNG
(6-(2,2-difluoroethylamino)-9-(3,5-difluorophenyl)-...)
Show SMILES FC(F)CNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)24-6-21-12-13(20-5-10(17)18)22-11(4-19)23-14(12)24/h1-3,6,10H,5H2,(H,20,22,23)
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n/an/a 50n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303415
PNG
(4-(biphenyl-3-ylamino)-6-(cyclopentylamino)-1,3,5-...)
Show SMILES N#Cc1nc(NC2CCCC2)nc(Nc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H20N6/c22-14-19-25-20(23-17-10-4-5-11-17)27-21(26-19)24-18-12-6-9-16(13-18)15-7-2-1-3-8-15/h1-3,6-9,12-13,17H,4-5,10-11H2,(H2,23,24,25,26,27)
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n/an/a 50n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303414
PNG
(4-(4-bromophenylamino)-6-(cyclopentylamino)-1,3,5-...)
Show SMILES Brc1ccc(Nc2nc(NC3CCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C15H15BrN6/c16-10-5-7-12(8-6-10)19-15-21-13(9-17)20-14(22-15)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,18,19,20,21,22)
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n/an/a 60n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303434
PNG
(4-(cyclopentylamino)-6-(3-nitrophenylamino)-1,3,5-...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15N7O2/c16-9-13-19-14(17-10-4-1-2-5-10)21-15(20-13)18-11-6-3-7-12(8-11)22(23)24/h3,6-8,10H,1-2,4-5H2,(H2,17,18,19,20,21)
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n/an/a 63n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 63n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303439
PNG
(9-(3-chlorophenyl)-6-(ethylamino)-9H-purine-2-carb...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cccc(Cl)c1)C#N
Show InChI InChI=1S/C14H11ClN6/c1-2-17-13-12-14(20-11(7-16)19-13)21(8-18-12)10-5-3-4-9(15)6-10/h3-6,8H,2H2,1H3,(H,17,19,20)
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n/an/a 63n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303409
PNG
(4-amino-6-(diphenylamino)-1,3,5-triazine-2-carboni...)
Show SMILES Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)C#N
Show InChI InChI=1S/C16H12N6/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,(H2,18,19,20,21)
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n/an/a 70n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303440
PNG
(9-(3-chlorophenyl)-6-(2,2-difluoroethylamino)-9H-p...)
Show SMILES FC(F)CNc1nc(nc2n(cnc12)-c1cccc(Cl)c1)C#N
Show InChI InChI=1S/C14H9ClF2N6/c15-8-2-1-3-9(4-8)23-7-20-12-13(19-6-10(16)17)21-11(5-18)22-14(12)23/h1-4,7,10H,6H2,(H,19,21,22)
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n/an/a 71n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303410
PNG
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 79n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303435
PNG
(4-(cyclopentylamino)-6-(3-fluorophenylamino)-1,3,5...)
Show SMILES Fc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15FN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 79n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM35503
PNG
(4-ethoxy-6-(1-piperidinyl)-1,3,5-triazine-2-carbon...)
Show SMILES CCOc1nc(nc(n1)N1CCCCC1)C#N
Show InChI InChI=1S/C11H15N5O/c1-2-17-11-14-9(8-12)13-10(15-11)16-6-4-3-5-7-16/h2-7H2,1H3
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n/an/a 90n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303411
PNG
(4-(3-bromophenylamino)-6-(cyclopentylamino)-1,3,5-...)
Show SMILES Brc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15BrN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 100n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303412
PNG
(4-(cyclopentylamino)-6-(4-fluorophenylamino)-1,3,5...)
Show SMILES Fc1ccc(Nc2nc(NC3CCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C15H15FN6/c16-10-5-7-12(8-6-10)19-15-21-13(9-17)20-14(22-15)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,18,19,20,21,22)
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n/an/a 126n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303413
PNG
(4-(cyclopentylamino)-6-(m-tolylamino)-1,3,5-triazi...)
Show SMILES Cc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C16H18N6/c1-11-5-4-8-13(9-11)19-16-21-14(10-17)20-15(22-16)18-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7H2,1H3,(H2,18,19,20,21,22)
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n/an/a 126n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303441
PNG
(9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-18-13-12-14(21-11(6-17)20-13)22(7-19-12)10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,18,20,21)
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n/an/a 251n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cruzipain


(Trypanosoma cruzi)		BDBM50303442
PNG
(6-(cyclopentylamino)-9-(3,5-difluorophenyl)-9H-pur...)
Show SMILES Fc1cc(F)cc(c1)-n1cnc2c(NC3CCCC3)nc(nc12)C#N
Show InChI InChI=1S/C17H14F2N6/c18-10-5-11(19)7-13(6-10)25-9-21-15-16(22-12-3-1-2-4-12)23-14(8-20)24-17(15)25/h5-7,9,12H,1-4H2,(H,22,23,24)
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n/an/a 316n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cathepsin Z


(Homo sapiens (Human))		BDBM50303441
PNG
(9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-18-13-12-14(21-11(6-17)20-13)22(7-19-12)10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,18,20,21)
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n/an/a 316n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin X/Z

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 389n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of papaya papain

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303418
PNG
(4-(cyclopentylamino)-6-(3,5-dichlorophenylamino)-1...)
Show SMILES Clc1cc(Cl)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14Cl2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 398n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Papain


(Carica papaya)		BDBM50303410
PNG
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 513n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of papaya papain

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM50303441
PNG
(9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-18-13-12-14(21-11(6-17)20-13)22(7-19-12)10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,18,20,21)
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n/an/a 589n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin C

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303423
PNG
(4-(ethylamino)-6-(phenylamino)-1,3,5-triazine-2-ca...)
Show SMILES CCNc1nc(Nc2ccccc2)nc(n1)C#N
Show InChI InChI=1S/C12H12N6/c1-2-14-11-16-10(8-13)17-12(18-11)15-9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H2,14,15,16,17,18)
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n/an/a 710n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303424
PNG
(4-(cyclopentylamino)-6-(phenylamino)-1,3,5-triazin...)
Show SMILES N#Cc1nc(NC2CCCC2)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C15H16N6/c16-10-13-19-14(17-11-6-2-1-3-7-11)21-15(20-13)18-12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-9H2,(H2,17,18,19,20,21)
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n/an/a 710n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303425
PNG
(4-(phenylamino)-6-(propylamino)-1,3,5-triazine-2-c...)
Show SMILES CCCNc1nc(Nc2ccccc2)nc(n1)C#N
Show InChI InChI=1S/C13H14N6/c1-2-8-15-12-17-11(9-14)18-13(19-12)16-10-6-4-3-5-7-10/h3-7H,2,8H2,1H3,(H2,15,16,17,18,19)
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n/an/a 790n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50303410
PNG
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 851n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human tPA

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303429
PNG
(4-(butylamino)-6-(phenylamino)-1,3,5-triazine-2-ca...)
Show SMILES CCCCNc1nc(Nc2ccccc2)nc(n1)C#N
Show InChI InChI=1S/C14H16N6/c1-2-3-9-16-13-18-12(10-15)19-14(20-13)17-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3,(H2,16,17,18,19,20)
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n/an/a 890n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303427
PNG
(4-(cyclopropylmethylamino)-6-(phenylamino)-1,3,5-t...)
Show SMILES N#Cc1nc(NCC2CC2)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C14H14N6/c15-8-12-18-13(16-9-10-6-7-10)20-14(19-12)17-11-4-2-1-3-5-11/h1-5,10H,6-7,9H2,(H2,16,17,18,19,20)
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n/an/a 890n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303426
PNG
(4-(isopropylamino)-6-(phenylamino)-1,3,5-triazine-...)
Show SMILES CC(C)Nc1nc(Nc2ccccc2)nc(n1)C#N
Show InChI InChI=1S/C13H14N6/c1-9(2)15-12-17-11(8-14)18-13(19-12)16-10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H2,15,16,17,18,19)
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n/an/a 890n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303428
PNG
(4-(isobutylamino)-6-(phenylamino)-1,3,5-triazine-2...)
Show SMILES CC(C)CNc1nc(Nc2ccccc2)nc(n1)C#N
Show InChI InChI=1S/C14H16N6/c1-10(2)9-16-13-18-12(8-15)19-14(20-13)17-11-6-4-3-5-7-11/h3-7,10H,9H2,1-2H3,(H2,16,17,18,19,20)
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n/an/a 890n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303430
PNG
(4-(4-hydroxybutylamino)-6-(phenylamino)-1,3,5-tria...)
Show SMILES OCCCCNc1nc(Nc2ccccc2)nc(n1)C#N
Show InChI InChI=1S/C14H16N6O/c15-10-12-18-13(16-8-4-5-9-21)20-14(19-12)17-11-6-2-1-3-7-11/h1-3,6-7,21H,4-5,8-9H2,(H2,16,17,18,19,20)
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n/an/a 890n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cathepsin Z


(Homo sapiens (Human))		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 933n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin X/Z

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303414
PNG
(4-(4-bromophenylamino)-6-(cyclopentylamino)-1,3,5-...)
Show SMILES Brc1ccc(Nc2nc(NC3CCCC3)nc(n2)C#N)cc1
Show InChI InChI=1S/C15H15BrN6/c16-10-5-7-12(8-6-10)19-15-21-13(9-17)20-14(22-15)18-11-3-1-2-4-11/h5-8,11H,1-4H2,(H2,18,19,20,21,22)
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n/an/a 1.12E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303431
PNG
(4-(methylamino)-6-(phenylamino)-1,3,5-triazine-2-c...)
Show SMILES CNc1nc(Nc2ccccc2)nc(n1)C#N
Show InChI InChI=1S/C11H10N6/c1-13-10-15-9(7-12)16-11(17-10)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,14,15,16,17)
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n/an/a 1.26E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 1.29E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human tPA

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303432
PNG
(4-(cyclohexylamino)-6-(phenylamino)-1,3,5-triazine...)
Show SMILES N#Cc1nc(NC2CCCCC2)nc(Nc2ccccc2)n1
Show InChI InChI=1S/C16H18N6/c17-11-14-20-15(18-12-7-3-1-4-8-12)22-16(21-14)19-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-10H2,(H2,18,19,20,21,22)
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n/an/a 1.41E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303433
PNG
(4-(2-hydroxyethylamino)-6-(phenylamino)-1,3,5-tria...)
Show SMILES OCCNc1nc(Nc2ccccc2)nc(n1)C#N
Show InChI InChI=1S/C12H12N6O/c13-8-10-16-11(14-6-7-19)18-12(17-10)15-9-4-2-1-3-5-9/h1-5,19H,6-7H2,(H2,14,15,16,17,18)
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n/an/a 1.58E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50303415
PNG
(4-(biphenyl-3-ylamino)-6-(cyclopentylamino)-1,3,5-...)
Show SMILES N#Cc1nc(NC2CCCC2)nc(Nc2cccc(c2)-c2ccccc2)n1
Show InChI InChI=1S/C21H20N6/c22-14-19-25-20(23-17-10-4-5-11-17)27-21(26-19)24-18-12-6-9-16(13-18)15-7-2-1-3-8-15/h1-3,6-9,12-13,17H,4-5,10-11H2,(H2,23,24,25,26,27)
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n/an/a 2.24E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain after 15 mins

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cathepsin Z


(Homo sapiens (Human))		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 3.16E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin X/Z

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 3.55E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 6

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-6


(Homo sapiens (Human))		BDBM50303410
PNG
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 5.13E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 6

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cathepsin Z


(Homo sapiens (Human))		BDBM50303410
PNG
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 6.46E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin X/Z

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 6.92E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin C

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-4


(Homo sapiens (Human))		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 8.13E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 4

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-14


(Homo sapiens (Human))		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 9.12E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 14

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Kallikrein-4


(Homo sapiens (Human))		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 9.77E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Kallikrein 4

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-5


(Homo sapiens (Human))		BDBM50303417
PNG
(4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...)
Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H14F2N6/c16-9-5-10(17)7-12(6-9)20-15-22-13(8-18)21-14(23-15)19-11-3-1-2-4-11/h5-7,11H,1-4H2,(H2,19,20,21,22,23)
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n/an/a 1.35E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 5

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-14


(Homo sapiens (Human))		BDBM50303410
PNG
(4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...)
Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1
Show InChI InChI=1S/C15H15ClN6/c16-10-4-3-7-12(8-10)19-15-21-13(9-17)20-14(22-15)18-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2,(H2,18,19,20,21,22)
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n/an/a 1.41E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 14

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Kallikrein-4


(Homo sapiens (Human))		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 1.45E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Kallikrein 4

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cathepsin Z


(Homo sapiens (Human))		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 1.48E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin X/Z

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 1.62E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 1

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-4


(Homo sapiens (Human))		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 3.31E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 4

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM50303441
PNG
(9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-18-13-12-14(21-11(6-17)20-13)22(7-19-12)10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,18,20,21)
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n/an/a 7.08E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Caspase 1

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 7.24E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human MMP14

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 7.41E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human TACE

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Proteinase K


(Engyodontium album)		BDBM50303420
PNG
(6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...)
Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
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n/an/a 7.41E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Proteinase K

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 8.51E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Elastase

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 8.91E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Chymase

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50303441
PNG
(9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-18-13-12-14(21-11(6-17)20-13)22(7-19-12)10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,18,20,21)
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n/an/a 1.35E+5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human MMP14

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 1.48E+5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin G

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Kallikrein-4


(Homo sapiens (Human))		BDBM50303441
PNG
(9-(3,5-Difluorophenyl)-6-(ethylamino)-9H-purine-2-...)
Show SMILES CCNc1nc(nc2n(cnc12)-c1cc(F)cc(F)c1)C#N
Show InChI InChI=1S/C14H10F2N6/c1-2-18-13-12-14(21-11(6-17)20-13)22(7-19-12)10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,18,20,21)
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n/an/a 1.78E+5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human Kallikrein 4

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))		BDBM50303436
PNG
(9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...)
Show SMILES FC(F)Cn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
Show InChI InChI=1S/C14H8F4N6/c15-7-1-8(16)3-9(2-7)21-13-12-14(23-11(4-19)22-13)24(6-20-12)5-10(17)18/h1-3,6,10H,5H2,(H,21,22,23)
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n/an/a 4.27E+5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human MMP14

J Med Chem 53: 52-60 (2010)


Article DOI: 10.1021/jm901069a
BindingDB Entry DOI: 10.7270/Q2TX3FG5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%