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SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(O)=O

InChI Key: InChIKey=RMLJJALZEPRGDU-PVHODMMVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50040601   
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-9


(Homo sapiens (Human))
BDBM50040601
PNG
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C31H38N4O5/c1-20(2)17-26(30(38)35-27(29(37)32-3)18-21-9-5-4-6-10-21)34-25(31(39)40)15-16-33-28(36)24-14-13-22-11-7-8-12-23(22)19-24/h4-14,19-20,25-27,34H,15-18H2,1-3H3,(H,32,37)(H,33,36)(H,35,38)(H,39,40)/t25-,26+,27+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Glaxo Incorporated Research Institute

Curated by ChEMBL


Assay Description
Activity against human gelatinase (MMP-9).


J Med Chem 37: 674-88 (1994)


BindingDB Entry DOI: 10.7270/Q2RV0MRC
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50040601
PNG
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C31H38N4O5/c1-20(2)17-26(30(38)35-27(29(37)32-3)18-21-9-5-4-6-10-21)34-25(31(39)40)15-16-33-28(36)24-14-13-22-11-7-8-12-23(22)19-24/h4-14,19-20,25-27,34H,15-18H2,1-3H3,(H,32,37)(H,33,36)(H,35,38)(H,39,40)/t25-,26+,27+/m1/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Glaxo Incorporated Research Institute

Curated by ChEMBL


Assay Description
Activity against human stromelysin (MMP-3).


J Med Chem 37: 674-88 (1994)


BindingDB Entry DOI: 10.7270/Q2RV0MRC
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50040601
PNG
((R)-2-[(S)-3-Methyl-1-((S)-1-methylcarbamoyl-2-phe...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCNC(=O)c1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C31H38N4O5/c1-20(2)17-26(30(38)35-27(29(37)32-3)18-21-9-5-4-6-10-21)34-25(31(39)40)15-16-33-28(36)24-14-13-22-11-7-8-12-23(22)19-24/h4-14,19-20,25-27,34H,15-18H2,1-3H3,(H,32,37)(H,33,36)(H,35,38)(H,39,40)/t25-,26+,27+/m1/s1
PDB
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PubMed
n/an/a 488n/an/an/an/an/an/a



Glaxo Incorporated Research Institute

Curated by ChEMBL


Assay Description
Activity against human collagenase (MMP-1).


J Med Chem 37: 674-88 (1994)


BindingDB Entry DOI: 10.7270/Q2RV0MRC
More data for this
Ligand-Target Pair