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16 similar compounds to monomer 50396583

Compile data set for download or QSAR
Wt: 383.3
BDBM50396558
Wt: 365.3
BDBM50396565
Wt: 365.3
BDBM50396566
Wt: 397.3
BDBM50396568
Wt: 455.5
BDBM50396569
Wt: 437.3
BDBM50396570
Wt: 399.3
BDBM50396571
Wt: 383.3
BDBM50396572
Wt: 383.3
BDBM50396573
Wt: 369.3
BDBM50396574
Wt: 443.4
BDBM50396575
Wt: 399.8
BDBM50396576
Wt: 456.2
BDBM50396577
Wt: 383.3
BDBM50396578
Wt: 401.3
BDBM50396580
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50396558,50396565,50396566,50396568,50396569,50396570,50396571,50396572,50396573,50396574,50396575,50396576,50396577,50396578,50396580   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50396558
PNG
(CHEMBL2171403)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396558
PNG
(CHEMBL2171403)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H18FN3O4/c1-12-6-2-3-7-13(12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-9-5-4-8-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396566
PNG
(CHEMBL2171388)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O4/c1-13-7-5-6-10-15(13)16(12-19(25)26)21-20(27)17-11-18(24)23(22-17)14-8-3-2-4-9-14/h2-11,16,22H,12H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396568
PNG
(CHEMBL2171386)
Show SMILES Cc1ccc(C)c(c1)-n1[nH]c(cc1=O)C(=O)NC(CC(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O4/c1-12-3-4-13(2)18(9-12)25-19(26)10-17(24-25)21(29)23-16(11-20(27)28)14-5-7-15(22)8-6-14/h3-10,16,24H,11H2,1-2H3,(H,23,29)(H,27,28)
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n/an/a 5.38E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396569
PNG
(CHEMBL2171385)
Show SMILES Cc1ccc(C)c(c1)-n1[nH]c(cc1=O)C(=O)NC(CC(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O4/c1-17-8-9-18(2)24(14-17)30-25(31)15-23(29-30)27(34)28-22(16-26(32)33)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-15,22,29H,16H2,1-2H3,(H,28,34)(H,32,33)
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n/an/a 803n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396570
PNG
(CHEMBL2171384)
Show SMILES OC(=O)C[C@H](NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H15F4N3O4/c21-13-7-3-4-8-16(13)27-17(28)9-15(26-27)19(31)25-14(10-18(29)30)11-5-1-2-6-12(11)20(22,23)24/h1-9,14,26H,10H2,(H,25,31)(H,29,30)/t14-/m0/s1
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n/an/a 375n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396571
PNG
(CHEMBL2171383)
Show SMILES COc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H18FN3O5/c1-29-17-9-5-2-6-12(17)14(11-19(26)27)22-20(28)15-10-18(25)24(23-15)16-8-4-3-7-13(16)21/h2-10,14,23H,11H2,1H3,(H,22,28)(H,26,27)/t14-/m0/s1
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n/an/a 357n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396572
PNG
(CHEMBL2171382)
Show SMILES Cc1ccc(cc1)[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H18FN3O4/c1-12-6-8-13(9-7-12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-5-3-2-4-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
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n/an/a 274n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396573
PNG
(CHEMBL2171608)
Show SMILES Cc1cccc(c1)[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H18FN3O4/c1-12-5-4-6-13(9-12)15(11-19(26)27)22-20(28)16-10-18(25)24(23-16)17-8-3-2-7-14(17)21/h2-10,15,23H,11H2,1H3,(H,22,28)(H,26,27)/t15-/m0/s1
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n/an/a 252n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396574
PNG
(CHEMBL2171607)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccccc1
Show InChI InChI=1S/C19H16FN3O4/c20-13-8-4-5-9-16(13)23-17(24)10-15(22-23)19(27)21-14(11-18(25)26)12-6-2-1-3-7-12/h1-10,14,22H,11H2,(H,21,27)(H,25,26)
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n/an/a 226n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396575
PNG
(CHEMBL2171606)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H21N3O5/c29-23-15-22(27-28(23)18-7-3-1-4-8-18)25(32)26-21(16-24(30)31)17-11-13-20(14-12-17)33-19-9-5-2-6-10-19/h1-15,21,27H,16H2,(H,26,32)(H,30,31)
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n/an/a 200n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396576
PNG
(CHEMBL2171605)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H18ClN3O4/c1-12-5-2-3-8-15(12)16(11-19(26)27)22-20(28)17-10-18(25)24(23-17)14-7-4-6-13(21)9-14/h2-10,16,23H,11H2,1H3,(H,22,28)(H,26,27)/t16-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396577
PNG
(CHEMBL2169904)
Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccc(F)cc1F)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H13Cl2F2N3O4/c20-11-3-1-2-10(18(11)21)13(8-17(28)29)24-19(30)14-7-16(27)26(25-14)15-5-4-9(22)6-12(15)23/h1-7,13,25H,8H2,(H,24,30)(H,28,29)
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n/an/a 120n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396578
PNG
(CHEMBL2171604)
Show SMILES Cc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O4/c1-12-4-2-3-5-15(12)16(11-19(26)27)22-20(28)17-10-18(25)24(23-17)14-8-6-13(21)7-9-14/h2-10,16,23H,11H2,1H3,(H,22,28)(H,26,27)/t16-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396580
PNG
(CHEMBL2169902)
Show SMILES Cc1ccc(F)cc1C(CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F
Show InChI InChI=1S/C20H17F2N3O4/c1-11-6-7-12(21)8-13(11)15(10-19(27)28)23-20(29)16-9-18(26)25(24-16)17-5-3-2-4-14(17)22/h2-9,15,24H,10H2,1H3,(H,23,29)(H,27,28)
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n/an/a 76n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50396565
PNG
(CHEMBL2171389)
Show SMILES Cc1ccccc1[C@@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O4/c1-13-7-5-6-10-15(13)16(12-19(25)26)21-20(27)17-11-18(24)23(22-17)14-8-3-2-4-9-14/h2-11,16,22H,12H2,1H3,(H,21,27)(H,25,26)/t16-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...


J Med Chem 55: 7636-49 (2012)


Article DOI: 10.1021/jm300663n
BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
More data for this
Ligand-Target Pair