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BDBM50246792 CHEMBL508335::N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-(methylcarbamoyl)-ethylcarbamoyl]-(5-methylhexanoyl)}-N-4-(4-bromophenyl)-benzenesulfonylhydrazide

SMILES: CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1

InChI Key: InChIKey=ODFXJYBYTABKHA-BTYSJIOQSA-N

Data: 4 KI  5 IC50

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 9 hits for monomerid = 50246792   
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))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP9 by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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523n/an/an/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP7 by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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415n/an/an/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP1 by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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n/an/a 475n/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP7 by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP2 by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50246792
PNG
(CHEMBL508335 | N'-{3-(R)-[2-(S)-(1H-Indol-3-yl)-1-...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NNS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C32H36BrN5O5S/c1-20(2)16-23(31(40)36-29(32(41)34-3)17-24-19-35-28-7-5-4-6-27(24)28)18-30(39)37-38-44(42,43)26-14-10-22(11-15-26)21-8-12-25(33)13-9-21/h4-15,19-20,23,29,35,38H,16-18H2,1-3H3,(H,34,41)(H,36,40)(H,37,39)/t23-,29+/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Université de Reims-Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP2 by spectrofluorimeter


Bioorg Med Chem 16: 8745-59 (2008)


Article DOI: 10.1016/j.bmc.2008.07.041
BindingDB Entry DOI: 10.7270/Q2R49QM0
More data for this
Ligand-Target Pair