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6 similar compounds to monomer 50068918

Compile data set for download or QSAR
Wt: 444.4
BDBM36121
Wt: 444.4
BDBM36122
Wt: 396.4
BDBM36242
Purchase
Wt: 396.4
BDBM36243
Purchase
Wt: 426.5
BDBM50245249
Wt: 1041.2
BDBM50400214

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 36121,36122,36242,36243,50245249,50400214   
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
Collagenase


(Homo sapiens (Human))
BDBM50245249
PNG
(CHEMBL452584 | N-(Benzyloxycarbonyl)-L-leucyl-L-ph...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1/C24H30N2O5/c1-17(2)14-20(26-24(29)31-16-19-12-8-5-9-13-19)22(27)25-21(23(28)30-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t20-,21-/s2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50400214
PNG
(CHEMBL2181022)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/s2
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n/an/a 54n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by fluorescence assay


J Med Chem 55: 10749-65 (2012)


Article DOI: 10.1021/jm301630s
BindingDB Entry DOI: 10.7270/Q2TH8NVB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50400214
PNG
(CHEMBL2181022)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/s2
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n/an/a 54n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin) after 90 mins by fluorescence assay


Bioorg Med Chem 23: 1963-74 (2015)


Article DOI: 10.1016/j.bmc.2015.03.034
BindingDB Entry DOI: 10.7270/Q22N540B
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50245249
PNG
(CHEMBL452584 | N-(Benzyloxycarbonyl)-L-leucyl-L-ph...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1/C24H30N2O5/c1-17(2)14-20(26-24(29)31-16-19-12-8-5-9-13-19)22(27)25-21(23(28)30-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t20-,21-/s2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM50400214
PNG
(CHEMBL2181022)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/s2
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n/an/a 0.0783n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by fluorescence assay


J Med Chem 55: 10749-65 (2012)


Article DOI: 10.1021/jm301630s
BindingDB Entry DOI: 10.7270/Q2TH8NVB
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50245249
PNG
(CHEMBL452584 | N-(Benzyloxycarbonyl)-L-leucyl-L-ph...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1/C24H30N2O5/c1-17(2)14-20(26-24(29)31-16-19-12-8-5-9-13-19)22(27)25-21(23(28)30-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t20-,21-/s2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50245249
PNG
(CHEMBL452584 | N-(Benzyloxycarbonyl)-L-leucyl-L-ph...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1/C24H30N2O5/c1-17(2)14-20(26-24(29)31-16-19-12-8-5-9-13-19)22(27)25-21(23(28)30-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t20-,21-/s2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50245249
PNG
(CHEMBL452584 | N-(Benzyloxycarbonyl)-L-leucyl-L-ph...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1/C24H30N2O5/c1-17(2)14-20(26-24(29)31-16-19-12-8-5-9-13-19)22(27)25-21(23(28)30-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t20-,21-/s2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair
Cathepsin E


(Homo sapiens (Human))
BDBM50400214
PNG
(CHEMBL2181022)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1/C55H76N8O12/c1-34(2)29-41(49(67)57-36(5)51(69)62(7)44(31-38-21-14-10-15-22-38)52(70)63-28-18-25-43(63)54(72)74-8)58-47(66)32-45(64)40(30-37-19-12-9-13-20-37)59-50(68)42(26-27-46(56)65)61(6)53(71)48(35(3)4)60-55(73)75-33-39-23-16-11-17-24-39/h9-17,19-24,34-36,40-45,48,64H,18,25-33H2,1-8H3,(H2,56,65)(H,57,67)(H,58,66)(H,59,68)(H,60,73)/t36-,40-,41-,42-,43-,44+,45-,48-/s2
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n/an/a 0.724n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of cathepsin E by fluorescence assay


J Med Chem 55: 10749-65 (2012)


Article DOI: 10.1021/jm301630s
BindingDB Entry DOI: 10.7270/Q2TH8NVB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50245249
PNG
(CHEMBL452584 | N-(Benzyloxycarbonyl)-L-leucyl-L-ph...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1/C24H30N2O5/c1-17(2)14-20(26-24(29)31-16-19-12-8-5-9-13-19)22(27)25-21(23(28)30-3)15-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,27)(H,26,29)/t20-,21-/s2
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università G. d'Annunzio

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Eur J Med Chem 43: 1008-14 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.002
BindingDB Entry DOI: 10.7270/Q23T9H1W
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 14 hits for monomerid = 36121,36122,36242,36243,50245249,50400214
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM36121
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-1.672.86-4.541.236.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM4
JPEG
BDBM36122
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-1.702.70-4.391.246.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM11
JPEG
BDBM36121
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.810.712-3.532.066.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM11
JPEG
BDBM36122
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.710.477-3.181.996.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36123
JPEG
BDBM36121
JPEG
PC cid
PC sid
PC cid
PC sid
-2.920.335-3.252.146.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36123
JPEG
BDBM36122
JPEG
PC cid
PC sid
PC cid
PC sid
-2.780.691-3.462.046.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36124
JPEG
BDBM36121
JPEG
PC cid
PC sid
PC cid
PC sid
-2.990.142-3.132.206.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36124
JPEG
BDBM36122
JPEG
PC cid
PC sid
PC cid
PC sid
-2.850.385-3.222.096.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36125
JPEG
BDBM36121
JPEG
PC cid
PC sid
PC cid
PC sid
-2.840.0926-2.942.086.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36125
JPEG
BDBM36122
JPEG
PC cid
PC sid
PC cid
PC sid
-2.780.456-3.222.046.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36126
JPEG
BDBM36121
JPEG
CHEBI
MMDB
PC cid
PC sid
PC cid
PC sid
-2.713.42-6.111.996.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36126
JPEG
BDBM36122
JPEG
CHEBI
MMDB
PC cid
PC sid
PC cid
PC sid
-2.183.15-5.331.606.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM36126
JPEG
BDBM36242
JPEG
CHEBI
MMDB
PC cid
PC sid
PC cid
PC sid
-2.920.142-3.052.146.9025



Japan Science and Technology Agency





J Org Chem 68: 5228-35 (2003)

BDBM36126
JPEG
BDBM36243
JPEG
CHEBI
MMDB
PC cid
PC sid
PC cid
PC sid
-1.933.28-5.211.426.9025



Japan Science and Technology Agency





J Org Chem 68: 5228-35 (2003)