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SMILES: CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1

InChI Key: InChIKey=UAZHKINNICKCCP-WSMRJJHLSA-N

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 3 hits for monomerid = 50040592   
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))
BDBM50040592
PNG
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)
Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26+/m1/s1
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n/an/a 12n/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))
BDBM50040592
PNG
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)
Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26+/m1/s1
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n/an/a 965n/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))
BDBM50040592
PNG
((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...)
Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C30H33N3O5/c1-18(2)15-26(27(34)31-19(3)20-9-5-4-6-10-20)32-25(30(37)38)13-14-33-28(35)23-16-21-11-7-8-12-22(21)17-24(23)29(33)36/h4-12,16-19,25-26,32H,13-15H2,1-3H3,(H,31,34)(H,37,38)/t19?,25-,26+/m1/s1
PDB
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PC sid
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PubMed
n/an/a 51n/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