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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'engel' and Initial = 'jc'   
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)
BDBM50306596
PNG
(3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C31H35F4N5O2/c1-5-6-9-25(26(41)18-42-30-28(34)22(32)14-23(33)29(30)35)40-17-27(38-39-40)31(4,15-19(2)3)37-16-20-10-11-24-21(13-20)8-7-12-36-24/h7-8,10-14,17,19,25,37H,5-6,9,15-16,18H2,1-4H3/t25?,31-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306600
PNG
(3-(4-((S)-1-cyclopentyl-1-(quinolin-6-ylmethylamin...)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCC1 |r|
Show InChI InChI=1S/C32H35F4N5O2/c1-3-4-11-26(27(42)19-43-31-29(35)23(33)16-24(34)30(31)36)41-18-28(39-40-41)32(2,22-9-5-6-10-22)38-17-20-12-13-25-21(15-20)8-7-14-37-25/h7-8,12-16,18,22,26,38H,3-6,9-11,17,19H2,1-2H3/t26?,32-/m0/s1
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110n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306598
PNG
(3-(4-((S)-1-cyclobutyl-1-(quinolin-6-ylmethylamino...)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r|
Show InChI InChI=1S/C31H33F4N5O2/c1-3-4-10-25(26(41)18-42-30-28(34)22(32)15-23(33)29(30)35)40-17-27(38-39-40)31(2,21-8-5-9-21)37-16-19-11-12-24-20(14-19)7-6-13-36-24/h6-7,11-15,17,21,25,37H,3-5,8-10,16,18H2,1-2H3/t25?,31-/m0/s1
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130n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306597
PNG
(3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...)
Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r|
Show InChI InChI=1S/C29H31F4N5O2/c1-5-23(24(39)16-40-28-26(32)20(30)12-21(31)27(28)33)38-15-25(36-37-38)29(4,13-17(2)3)35-14-18-8-9-22-19(11-18)7-6-10-34-22/h6-12,15,17,23,35H,5,13-14,16H2,1-4H3/t23?,29-/m0/s1
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190n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306599
PNG
(3-(4-((S)-1-cyclobutyl-1-(quinolin-6-ylmethylamino...)
Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCC1 |r|
Show InChI InChI=1S/C29H29F4N5O2/c1-3-23(24(39)16-40-28-26(32)20(30)13-21(31)27(28)33)38-15-25(36-37-38)29(2,19-7-4-8-19)35-14-17-9-10-22-18(12-17)6-5-11-34-22/h5-6,9-13,15,19,23,35H,3-4,7-8,14,16H2,1-2H3/t23?,29-/m0/s1
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350n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306592
PNG
(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r|
Show InChI InChI=1S/C30H33F4N5O2/c1-5-6-9-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(4,18(2)3)36-15-19-10-11-23-20(13-19)8-7-12-35-23/h7-8,10-14,16,18,24,36H,5-6,9,15,17H2,1-4H3/t24?,30-/m0/s1
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460n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128869
PNG
(2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...)
Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)
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500n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128871
PNG
(CHEMBL313154 | Chrysen-6-ylamine)
Show SMILES Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H13N/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H,19H2
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600n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306595
PNG
(3-(4-((S)-1-cyclopropyl-1-(quinolin-6-ylmethylamin...)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CC1 |r|
Show InChI InChI=1S/C30H31F4N5O2/c1-3-4-7-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(2,20-9-10-20)36-15-18-8-11-23-19(13-18)6-5-12-35-23/h5-6,8,11-14,16,20,24,36H,3-4,7,9-10,15,17H2,1-2H3/t24?,30-/m0/s1
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940n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306593
PNG
(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)
Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r|
Show InChI InChI=1S/C28H29F4N5O2/c1-5-22(23(38)15-39-27-25(31)19(29)12-20(30)26(27)32)37-14-24(35-36-37)28(4,16(2)3)34-13-17-8-9-21-18(11-17)7-6-10-33-21/h6-12,14,16,22,34H,5,13,15H2,1-4H3/t22?,28-/m0/s1
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1.04E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306601
PNG
(3-(4-((S)-1-cyclohexyl-1-(quinolin-6-ylmethylamino...)
Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCCC1 |r|
Show InChI InChI=1S/C33H37F4N5O2/c1-3-4-12-27(28(43)20-44-32-30(36)24(34)17-25(35)31(32)37)42-19-29(40-41-42)33(2,23-10-6-5-7-11-23)39-18-21-13-14-26-22(16-21)9-8-15-38-26/h8-9,13-17,19,23,27,39H,3-7,10-12,18,20H2,1-2H3/t27?,33-/m0/s1
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1.22E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128866
PNG
(2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...)
Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O
Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H
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2.20E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128872
PNG
(6-Fluoro-chrysene | CHEMBL83242)
Show SMILES Fc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H11F/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
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2.80E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128866
PNG
(2-(2,4,7-Trinitro-fluoren-9-ylidene)-malononitrile...)
Show SMILES [#8-]-[#7+](=O)-c1ccc-2c(c1)\[#6](=[#6](/C#N)C#N)-c1cc(cc(c-21)-[#7+](-[#8-])=O)-[#7+](-[#8-])=O
Show InChI InChI=1S/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-10(20(24)25)5-14(16)21(26)27/h1-5H
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5.40E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128865
PNG
(6-Nitro-chrysene | CHEMBL82858)
Show SMILES [O-][N+](=O)c1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C18H11NO2/c20-19(21)18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
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6.70E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50306594
PNG
(3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...)
Show SMILES CC(C)[C@](C)(NCc1ccc2ncccc2c1)c1cn(nn1)C(C)C(=O)COc1c(F)c(F)cc(F)c1F |r|
Show InChI InChI=1S/C27H27F4N5O2/c1-15(2)27(4,33-12-17-7-8-21-18(10-17)6-5-9-32-21)23-13-36(35-34-23)16(3)22(37)14-38-26-24(30)19(28)11-20(29)25(26)31/h5-11,13,15-16,33H,12,14H2,1-4H3/t16?,27-/m0/s1
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6.76E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi cruzain


J Med Chem 53: 1763-73 (2010)


Article DOI: 10.1021/jm901633v
BindingDB Entry DOI: 10.7270/Q21N8172
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128870
PNG
(CHEMBL85685 | chrysene)
Show SMILES c1ccc2c(c1)ccc1c3ccccc3ccc21
Show InChI InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
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8.98E+3n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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1.09E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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1.18E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with Trypanosoma cruzi Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128867
PNG
(3,5-diphenyl-4'-methyl-2-nitrobiphenyl | CHEMBL875...)
Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H19NO2/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25(24)26(27)28)20-10-6-3-7-11-20/h2-17H,1H3
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1.39E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128869
PNG
(2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...)
Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)
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1.60E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128869
PNG
(2,2-Dichloro-N-chrysen-6-yl-acetamide | CHEMBL8805...)
Show SMILES ClC(Cl)C(=O)Nc1cc2c3ccccc3ccc2c2ccccc12
Show InChI InChI=1S/C20H13Cl2NO/c21-19(22)20(24)23-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11,19H,(H,23,24)
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>2.50E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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2.88E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with human Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50128868
PNG
(5-(2,4-Dichloro-phenoxy)-3-(2-fluoro-phenyl)-[1,2,...)
Show SMILES Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12
Show InChI InChI=1S/C21H11Cl2FN4O/c22-12-9-10-18(15(23)11-12)29-21-25-17-8-4-2-6-14(17)20-27-26-19(28(20)21)13-5-1-3-7-16(13)24/h1-11H
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4.81E+4n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Kinetic inhibition constant of compound with bacterial Hypoxanthine Phosphoribosyltransferase (HPRT)


J Med Chem 46: 2548-50 (2003)


Article DOI: 10.1021/jm030061i
BindingDB Entry DOI: 10.7270/Q2CF9PGG
More data for this
Ligand-Target Pair
Sterol 14-alpha demethylase


(Trypanosoma cruzi)
BDBM29342
PNG
(ChemDiv C155-0123, 9)
Show SMILES CC1CCC(CC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |(6.19,11.83,;4.86,11.06,;3.53,11.83,;2.19,11.06,;2.19,9.52,;3.53,8.75,;4.86,9.52,;.86,8.75,;-.47,9.52,;.86,7.21,;-.47,6.44,;-1.81,7.21,;-3.14,6.44,;-3.62,4.98,;-5.16,4.98,;-5.63,6.44,;-7.04,7.07,;-7.2,8.6,;-5.96,9.5,;-4.55,8.88,;-4.39,7.35,;-.47,4.9,;.86,4.13,;-1.81,4.13,;-1.81,2.59,;-3.14,1.82,;-3.14,.28,;-1.81,-.49,;-.47,.28,;-.47,1.82,)|
Show InChI InChI=1S/C24H28N4O2/c1-16-6-8-17(9-7-16)23(29)28-22(24(30)27-19-10-12-25-13-11-19)14-18-15-26-21-5-3-2-4-20(18)21/h2-5,10-13,15-17,22,26H,6-9,14H2,1H3,(H,28,29)(H,25,27,30)
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Article
PubMed
n/an/an/a 4.80n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to Trypanosoma cruzi sterol 14alpha-demethylase by UV-Spectrophotometry


Antimicrob Agents Chemother 54: 2480-8 (2010)


Article DOI: 10.1128/AAC.00281-10
BindingDB Entry DOI: 10.7270/Q2R49QZG
More data for this
Ligand-Target Pair