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BDBM50284751 CHEMBL30804::[(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza-tricyclo[10.6.1.0*13,18*]nonadeca-12(19),13(18),14,16-tetraen-10-ylcarbamoyl)-pentyl]-(quinolin-2-ylsulfanylmethyl)-phosphinic acid

SMILES: CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21

InChI Key: InChIKey=UDNLRUDZHBXCON-OFSOJUDTSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50284751   
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))
BDBM50284751
PNG
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)
Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1
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Article
4n/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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50284751
PNG
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)
Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1
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Article
5n/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
Collagenase


(homo sapiens (human))
BDBM50284751
PNG
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)
Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1
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14n/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-7 (MMP7)


(Homo sapiens (Human))
BDBM50284751
PNG
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)
Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1
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Article
78n/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))
BDBM50284751
PNG
(CHEMBL30804 | [(S)-4-Methyl-2-((S)-9-oxo-1,8-diaza...)
Show SMILES CC(C)C[C@H](CP(O)(=O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c1ccccc21
Show InChI InChI=1S/C34H43N4O4PS/c1-24(2)19-27(22-43(41,42)23-44-32-16-15-25-11-5-7-13-29(25)36-32)33(39)37-30-20-26-21-38(31-14-8-6-12-28(26)31)18-10-4-3-9-17-35-34(30)40/h5-8,11-16,21,24,27,30H,3-4,9-10,17-20,22-23H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)/t27-,30+/m1/s1
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Article
806n/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