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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'gregory' and Initial = 'js'   
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
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286446
PNG
(CHEMBL341222 | {(S)-1-[(S)-1-(4-Hydroxy-benzyl)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C23H28N2O5/c1-16(2)12-21(25-23(29)30-15-18-6-4-3-5-7-18)22(28)24-19(14-26)13-17-8-10-20(27)11-9-17/h3-11,14,16,19,21,27H,12-13,15H2,1-2H3,(H,24,28)(H,25,29)/t19-,21-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286452
PNG
(CHEMBL340020 | {(S)-1-[(S)-1-(4-Hydroxy-benzyl)-2-...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C22H26N2O5/c1-15(2)20(24-22(28)29-14-17-6-4-3-5-7-17)21(27)23-18(13-25)12-16-8-10-19(26)11-9-16/h3-11,13,15,18,20,26H,12,14H2,1-2H3,(H,23,27)(H,24,28)/t18-,20-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286449
PNG
(CHEMBL338859 | {(S)-1-[(S)-1-(4-Methoxy-benzyl)-2-...)
Show SMILES COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C=O)cc1
Show InChI InChI=1S/C23H28N2O5/c1-16(2)21(25-23(28)30-15-18-7-5-4-6-8-18)22(27)24-19(14-26)13-17-9-11-20(29-3)12-10-17/h4-12,14,16,19,21H,13,15H2,1-3H3,(H,24,27)(H,25,28)/t19-,21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50137397
PNG
(CHEMBL341014 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H28N2O4/c1-17(2)13-21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50073850
PNG
((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50014577
PNG
(CHEMBL286722 | MDL-2170 | Z-Val-Phe-H | [(S)-1-((S...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O |r|
Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286453
PNG
(CHEMBL419423 | {(S)-1-[(S)-1-(4-Hydroxy-benzyl)-2-...)
Show SMILES CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O
Show InChI InChI=1S/C23H28N2O5/c1-3-16(2)21(25-23(29)30-15-18-7-5-4-6-8-18)22(28)24-19(14-26)13-17-9-11-20(27)12-10-17/h4-12,14,16,19,21,27H,3,13,15H2,1-2H3,(H,24,28)(H,25,29)/t16?,19-,21-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286445
PNG
(CHEMBL127613 | [((S)-1-Benzyl-2-oxo-ethylcarbamoyl...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H24N2O4/c28-17-22(16-19-10-4-1-5-11-19)26-24(29)23(21-14-8-3-9-15-21)27-25(30)31-18-20-12-6-2-7-13-20/h1-15,17,22-23H,16,18H2,(H,26,29)(H,27,30)/t22-,23?/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286455
PNG
(CHEMBL128775 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES CC(C)(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C24H30N2O4/c1-24(2,3)15-21(26-23(29)30-17-19-12-8-5-9-13-19)22(28)25-20(16-27)14-18-10-6-4-7-11-18/h4-13,16,20-21H,14-15,17H2,1-3H3,(H,25,28)(H,26,29)/t20-,21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286444
PNG
(CHEMBL339000 | [(S)-1-((S)-1-Formyl-3-phenyl-propy...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=O
Show InChI InChI=1S/C23H28N2O4/c1-17(2)21(25-23(28)29-16-19-11-7-4-8-12-19)22(27)24-20(15-26)14-13-18-9-5-3-6-10-18/h3-12,15,17,20-21H,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/t20-,21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286454
PNG
(CHEMBL129657 | [(S)-1-((S)-1-Formyl-2-naphthalen-1...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C=O
Show InChI InChI=1S/C26H28N2O4/c1-18(2)24(28-26(31)32-17-19-9-4-3-5-10-19)25(30)27-22(16-29)15-21-13-8-12-20-11-6-7-14-23(20)21/h3-14,16,18,22,24H,15,17H2,1-2H3,(H,27,30)(H,28,31)/t22-,24-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286443
PNG
(CHEMBL128776 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C20H22N2O4/c1-15(21-20(25)26-14-17-10-6-3-7-11-17)19(24)22-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,15,18H,12,14H2,1H3,(H,21,25)(H,22,24)/t15-,18-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286456
PNG
(CHEMBL129458 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C27H28N2O4/c30-19-24(18-22-12-6-2-7-13-22)28-26(31)25(17-16-21-10-4-1-5-11-21)29-27(32)33-20-23-14-8-3-9-15-23/h1-15,19,24-25H,16-18,20H2,(H,28,31)(H,29,32)/t24-,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50213272
PNG
(CHEBI:6426 | LEUPEPTIN | Leupeptin)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C=O |r|
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286450
PNG
(CHEMBL128135 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H26N2O4/c29-18-23(16-20-10-4-1-5-11-20)27-25(30)24(17-21-12-6-2-7-13-21)28-26(31)32-19-22-14-8-3-9-15-22/h1-15,18,23-24H,16-17,19H2,(H,27,30)(H,28,31)/t23-,24-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286434
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyridin-4-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H14ClN3O3/c22-17-10-14(26)2-4-18(17)25-11-16(21(23)28)20(27)15-3-1-13(9-19(15)25)12-5-7-24-8-6-12/h1-11,26H,(H2,23,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286432
PNG
(1-(4-Hydroxy-2-methyl-phenyl)-4-oxo-7-pyridin-4-yl...)
Show SMILES Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(cc12)-c1ccncc1
Show InChI InChI=1S/C22H17N3O3/c1-13-10-16(26)3-5-19(13)25-12-18(22(23)28)21(27)17-4-2-15(11-20(17)25)14-6-8-24-9-7-14/h2-12,26H,1H3,(H2,23,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286451
PNG
(CHEMBL129823 | [1-((S)-1-Benzyl-2-oxo-ethylcarbamo...)
Show SMILES CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O
Show InChI InChI=1S/C23H28N2O4/c1-23(2,3)20(25-22(28)29-16-18-12-8-5-9-13-18)21(27)24-19(15-26)14-17-10-6-4-7-11-17/h4-13,15,19-20H,14,16H2,1-3H3,(H,24,27)(H,25,28)/t19-,20?/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286442
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyrazol-1-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-n1cccn1
Show InChI InChI=1S/C19H13ClN4O3/c20-15-9-12(25)3-5-16(15)23-10-14(19(21)27)18(26)13-4-2-11(8-17(13)23)24-7-1-6-22-24/h1-10,25H,(H2,21,27)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286434
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyridin-4-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H14ClN3O3/c22-17-10-14(26)2-4-18(17)25-11-16(21(23)28)20(27)15-3-1-13(9-19(15)25)12-5-7-24-8-6-12/h1-11,26H,(H2,23,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286447
PNG
(CHEMBL2370670 | [1-(2-Formyl-pyrrolidine-1-carbony...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C=O |r|
Show InChI InChI=1S/C18H24N2O4/c1-13(2)16(17(22)20-10-6-9-15(20)11-21)19-18(23)24-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,15-16H,6,9-10,12H2,1-2H3,(H,19,23)/t15-,16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain 1/small subunit 1


(Homo sapiens (Human))
BDBM50286448
PNG
(CHEMBL127663 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcar...)
Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C30H28N2O4/c33-20-26(18-22-10-3-1-4-11-22)31-29(34)28(32-30(35)36-21-23-12-5-2-6-13-23)19-25-16-9-15-24-14-7-8-17-27(24)25/h1-17,20,26,28H,18-19,21H2,(H,31,34)(H,32,35)/t26-,28-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Calpain 1 by [3H]-acetyl-casein assay


Bioorg Med Chem Lett 5: 393-398 (1995)


Article DOI: 10.1016/0960-894X(95)00042-R
BindingDB Entry DOI: 10.7270/Q2WQ03R1
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286440
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-7-furan-3-yl-4-oxo-1...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccoc1
Show InChI InChI=1S/C20H13ClN2O4/c21-16-8-13(24)2-4-17(16)23-9-15(20(22)26)19(25)14-3-1-11(7-18(14)23)12-5-6-27-10-12/h1-10,24H,(H2,22,26)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286426
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-7-(3-chloro-pyridin-...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccncc1Cl
Show InChI InChI=1S/C21H13Cl2N3O3/c22-16-8-12(27)2-4-18(16)26-10-15(21(24)29)20(28)14-3-1-11(7-19(14)26)13-5-6-25-9-17(13)23/h1-10,27H,(H2,24,29)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286430
PNG
(1-(4-Hydroxy-phenyl)-4-oxo-7-pyridin-4-yl-1,4-dihy...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H15N3O3/c22-21(27)18-12-24(15-2-4-16(25)5-3-15)19-11-14(1-6-17(19)20(18)26)13-7-9-23-10-8-13/h1-12,25H,(H2,22,27)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286429
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyridazin-3-...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1cccnn1
Show InChI InChI=1S/C20H13ClN4O3/c21-15-9-12(26)4-6-17(15)25-10-14(20(22)28)19(27)13-5-3-11(8-18(13)25)16-2-1-7-23-24-16/h1-10,26H,(H2,22,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286436
PNG
(1-(3-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyridin-4-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)c(Cl)c2)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H14ClN3O3/c22-17-10-14(2-4-19(17)26)25-11-16(21(23)28)20(27)15-3-1-13(9-18(15)25)12-5-7-24-8-6-12/h1-11,26H,(H2,23,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286437
PNG
(1-(3-Fluoro-4-hydroxy-phenyl)-4-oxo-7-pyridin-4-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)c(F)c2)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H14FN3O3/c22-17-10-14(2-4-19(17)26)25-11-16(21(23)28)20(27)15-3-1-13(9-18(15)25)12-5-7-24-8-6-12/h1-11,26H,(H2,23,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286435
PNG
(1-(3,4-Dihydroxy-phenyl)-4-oxo-7-pyridin-4-yl-1,4-...)
Show SMILES NC(=O)c1cn(-c2ccc(O)c(O)c2)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H15N3O4/c22-21(28)16-11-24(14-2-4-18(25)19(26)10-14)17-9-13(1-3-15(17)20(16)27)12-5-7-23-8-6-12/h1-11,25-26H,(H2,22,28)
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286433
PNG
(1-(2-Fluoro-4-hydroxy-phenyl)-4-oxo-7-pyridin-4-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2F)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H14FN3O3/c22-17-10-14(26)2-4-18(17)25-11-16(21(23)28)20(27)15-3-1-13(9-19(15)25)12-5-7-24-8-6-12/h1-11,26H,(H2,23,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286439
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyridin-3-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1cccnc1
Show InChI InChI=1S/C21H14ClN3O3/c22-17-9-14(26)4-6-18(17)25-11-16(21(23)28)20(27)15-5-3-12(8-19(15)25)13-2-1-7-24-10-13/h1-11,26H,(H2,23,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286438
PNG
(1-(4-Hydroxy-2-trifluoromethyl-phenyl)-4-oxo-7-pyr...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2C(F)(F)F)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C22H14F3N3O3/c23-22(24,25)17-10-14(29)2-4-18(17)28-11-16(21(26)31)20(30)15-3-1-13(9-19(15)28)12-5-7-27-8-6-12/h1-11,29H,(H2,26,31)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286431
PNG
(1-(4-Hydroxy-phenyl)-4-oxo-7-pyridin-4-yl-1,4-dihy...)
Show SMILES OC(=O)c1cn(-c2ccc(O)cc2)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H14N2O4/c24-16-4-2-15(3-5-16)23-12-18(21(26)27)20(25)17-6-1-14(11-19(17)23)13-7-9-22-10-8-13/h1-12,24H,(H,26,27)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50286434
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyridin-4-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H14ClN3O3/c22-17-10-14(26)2-4-18(17)25-11-16(21(23)28)20(27)15-3-1-13(9-19(15)25)12-5-7-24-8-6-12/h1-11,26H,(H2,23,28)
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n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cathepsin L


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50286434
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyridin-4-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H14ClN3O3/c22-17-10-14(26)2-4-18(17)25-11-16(21(23)28)20(27)15-3-1-13(9-19(15)25)12-5-7-24-8-6-12/h1-11,26H,(H2,23,28)
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n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286427
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-7-(2-fluoro-pyridin-...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccnc(F)c1
Show InChI InChI=1S/C21H13ClFN3O3/c22-16-9-13(27)2-4-17(16)26-10-15(21(24)29)20(28)14-3-1-11(7-18(14)26)12-5-6-25-19(23)8-12/h1-10,27H,(H2,24,29)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50286428
PNG
(1-(2-Chloro-4-hydroxy-phenyl)-4-oxo-7-pyridin-2-yl...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(ccc2c1=O)-c1ccccn1
Show InChI InChI=1S/C21H14ClN3O3/c22-16-10-13(26)5-7-18(16)25-11-15(21(23)28)20(27)14-6-4-12(9-19(14)25)17-3-1-2-8-24-17/h1-11,26H,(H2,23,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human erythrocyte Calpain 1


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Cathepsin (B and K)


(Homo sapiens (Human))
BDBM50286430
PNG
(1-(4-Hydroxy-phenyl)-4-oxo-7-pyridin-4-yl-1,4-dihy...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H15N3O3/c22-21(27)18-12-24(15-2-4-16(25)5-3-15)19-11-14(1-6-17(19)20(18)26)13-7-9-23-10-8-13/h1-12,25H,(H2,22,27)
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n/an/a 3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Cathepsin B


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50286430
PNG
(1-(4-Hydroxy-phenyl)-4-oxo-7-pyridin-4-yl-1,4-dihy...)
Show SMILES NC(=O)c1cn(-c2ccc(O)cc2)c2cc(ccc2c1=O)-c1ccncc1
Show InChI InChI=1S/C21H15N3O3/c22-21(27)18-12-24(15-2-4-16(25)5-3-15)19-11-14(1-6-17(19)20(18)26)13-7-9-23-10-8-13/h1-12,25H,(H2,22,27)
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n/an/a 3.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cathepsin L


Bioorg Med Chem Lett 5: 387-392 (1995)


Article DOI: 10.1016/0960-894X(95)00041-Q
BindingDB Entry DOI: 10.7270/Q21G0M6W
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164966
PNG
((R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoqu...)
Show SMILES Ic1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C29H23IN2O3/c30-23-13-15-24(16-14-23)31-28(33)27-18-20-7-4-5-8-22(20)19-32(27)29(34)21-9-6-12-26(17-21)35-25-10-2-1-3-11-25/h1-17,27H,18-19H2,(H,31,33)/t27-/m1/s1
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n/an/an/an/a 314n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164965
PNG
((S)-2-(3-Isopropoxy-benzoyl)-1,2,3,4-tetrahydro-is...)
Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC(C)C)c2)cc1
Show InChI InChI=1S/C31H36N2O3/c1-4-5-6-10-23-15-17-27(18-16-23)32-30(34)29-20-24-11-7-8-12-26(24)21-33(29)31(35)25-13-9-14-28(19-25)36-22(2)3/h7-9,11-19,22,29H,4-6,10,20-21H2,1-3H3,(H,32,34)/t29-/m0/s1
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n/an/an/an/a 6.30n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164968
PNG
((S)-2-(3-Cyclohexyloxy-benzoyl)-1,2,3,4-tetrahydro...)
Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC3CCCCC3)c2)cc1
Show InChI InChI=1S/C34H40N2O3/c1-2-3-5-11-25-18-20-29(21-19-25)35-33(37)32-23-26-12-8-9-13-28(26)24-36(32)34(38)27-14-10-17-31(22-27)39-30-15-6-4-7-16-30/h8-10,12-14,17-22,30,32H,2-7,11,15-16,23-24H2,1H3,(H,35,37)/t32-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164967
PNG
((R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoqu...)
Show SMILES Brc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C29H23BrN2O3/c30-23-13-15-24(16-14-23)31-28(33)27-18-20-7-4-5-8-22(20)19-32(27)29(34)21-9-6-12-26(17-21)35-25-10-2-1-3-11-25/h1-17,27H,18-19H2,(H,31,33)/t27-/m1/s1
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n/an/an/an/a 292n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164969
PNG
((S)-2-(3-Methoxy-benzoyl)-1,2,3,4-tetrahydro-isoqu...)
Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OC)c2)cc1
Show InChI InChI=1S/C29H32N2O3/c1-3-4-5-9-21-14-16-25(17-15-21)30-28(32)27-19-22-10-6-7-11-24(22)20-31(27)29(33)23-12-8-13-26(18-23)34-2/h6-8,10-18,27H,3-5,9,19-20H2,1-2H3,(H,30,32)/t27-/m0/s1
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n/an/an/an/a 176n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164970
PNG
((R)-2-[3-(Pyridin-2-yloxy)-benzoyl]-1,2,3,4-tetrah...)
Show SMILES Clc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccn3)c2)cc1
Show InChI InChI=1S/C28H22ClN3O3/c29-22-11-13-23(14-12-22)31-27(33)25-17-19-6-1-2-7-21(19)18-32(25)28(34)20-8-5-9-24(16-20)35-26-10-3-4-15-30-26/h1-16,25H,17-18H2,(H,31,33)/t25-/m1/s1
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n/an/an/an/a 268n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164971
PNG
((R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoqu...)
Show SMILES CCCCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C33H32N2O4/c1-2-3-20-38-28-18-16-27(17-19-28)34-32(36)31-22-24-10-7-8-11-26(24)23-35(31)33(37)25-12-9-15-30(21-25)39-29-13-5-4-6-14-29/h4-19,21,31H,2-3,20,22-23H2,1H3,(H,34,36)/t31-/m1/s1
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n/an/an/an/a 145n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164972
PNG
((R)-2-(3-Benzyl-benzoyl)-1,2,3,4-tetrahydro-isoqui...)
Show SMILES Clc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Cc3ccccc3)c2)cc1
Show InChI InChI=1S/C30H25ClN2O2/c31-26-13-15-27(16-14-26)32-29(34)28-19-23-10-4-5-11-25(23)20-33(28)30(35)24-12-6-9-22(18-24)17-21-7-2-1-3-8-21/h1-16,18,28H,17,19-20H2,(H,32,34)/t28-/m1/s1
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n/an/an/an/a 291n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164973
PNG
((R)-2-[3-(4-Fluoro-phenoxy)-benzoyl]-1,2,3,4-tetra...)
Show SMILES Fc1ccc(Oc2cccc(c2)C(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H22ClFN2O3/c30-22-8-12-24(13-9-22)32-28(34)27-17-19-4-1-2-5-21(19)18-33(27)29(35)20-6-3-7-26(16-20)36-25-14-10-23(31)11-15-25/h1-16,27H,17-18H2,(H,32,34)/t27-/m1/s1
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n/an/an/an/a 590n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164974
PNG
((S)-2-(3,4-Dichloro-benzoyl)-1,2,3,4-tetrahydro-is...)
Show SMILES CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C28H28Cl2N2O2/c1-2-3-4-7-19-10-13-23(14-11-19)31-27(33)26-17-20-8-5-6-9-22(20)18-32(26)28(34)21-12-15-24(29)25(30)16-21/h5-6,8-16,26H,2-4,7,17-18H2,1H3,(H,31,33)/t26-/m0/s1
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n/an/an/an/a 82n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator


(Homo sapiens (Human))
BDBM50164975
PNG
((R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoqu...)
Show SMILES CCCCCCCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C36H38N2O3/c1-2-3-4-5-7-13-27-20-22-31(23-21-27)37-35(39)34-25-28-14-10-11-15-30(28)26-38(34)36(40)29-16-12-19-33(24-29)41-32-17-8-6-9-18-32/h6,8-12,14-24,34H,2-5,7,13,25-26H2,1H3,(H,37,39)/t34-/m1/s1
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n/an/an/an/a 230n/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR


Bioorg Med Chem Lett 15: 2087-91 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.041
BindingDB Entry DOI: 10.7270/Q2J965WP
More data for this
Ligand-Target Pair
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