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1 similar compounds to monomer 50284751

Compile data set for download or QSAR
Wt: 636.7
BDBM50284752

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50284752   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50284752
PNG
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1
Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1
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Article
102n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50284752
PNG
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1
Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1
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Article
300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil gelatinase, matrix metalloproteinase-2


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50284752
PNG
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1
Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1
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Article
432n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50284752
PNG
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1
Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1
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Article
1.42E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-7


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50284752
PNG
(CHEMBL31164 | {(S)-2-[(S)-1-Hexylcarbamoyl-2-(1H-i...)
Show SMILES CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CP(O)(=O)CSc1ccc2ccccc2n1
Show InChI InChI=1S/C34H45N4O4PS/c1-4-5-6-11-18-35-34(40)31(20-26-21-36-30-15-10-8-13-28(26)30)38-33(39)27(19-24(2)3)22-43(41,42)23-44-32-17-16-25-12-7-9-14-29(25)37-32/h7-10,12-17,21,24,27,31,36H,4-6,11,18-20,22-23H2,1-3H3,(H,35,40)(H,38,39)(H,41,42)/t27-,31+/m1/s1
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Article
6.58E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 1415-1420 (1995)


Article DOI: 10.1016/0960-894X(95)00233-J
BindingDB Entry DOI: 10.7270/Q2Z89CBH
More data for this
Ligand-Target Pair