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BDBM50040595 (R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl)-2-{(S)-3-methyl-1-[(2-methyl-2H-tetrazol-5-ylmethyl)-carbamoyl]-butylamino}-butyric acid::CHEMBL349800

SMILES: CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1nnn(C)n1

InChI Key: InChIKey=SHHQJBCQHBRODF-UXHICEINSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50040595   
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))
BDBM50040595
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)NCc1nnn(C)n1
Show InChI InChI=1S/C25H29N7O5/c1-14(2)10-20(22(33)26-13-21-28-30-31(3)29-21)27-19(25(36)37)8-9-32-23(34)17-11-15-6-4-5-7-16(15)12-18(17)24(32)35/h4-7,11-12,14,19-20,27H,8-10,13H2,1-3H3,(H,26,33)(H,36,37)/t19-,20+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


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


J Med Chem 37: 674-88 (1994)


Article DOI: 10.1021/jm00031a018
BindingDB Entry DOI: 10.7270/Q2RV0MRC
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50040595
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)NCc1nnn(C)n1
Show InChI InChI=1S/C25H29N7O5/c1-14(2)10-20(22(33)26-13-21-28-30-31(3)29-21)27-19(25(36)37)8-9-32-23(34)17-11-15-6-4-5-7-16(15)12-18(17)24(32)35/h4-7,11-12,14,19-20,27H,8-10,13H2,1-3H3,(H,26,33)(H,36,37)/t19-,20+/m1/s1
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n/an/a 2.98E+3n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


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


J Med Chem 37: 674-88 (1994)


Article DOI: 10.1021/jm00031a018
BindingDB Entry DOI: 10.7270/Q2RV0MRC
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50040595
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)NCc1nnn(C)n1
Show InChI InChI=1S/C25H29N7O5/c1-14(2)10-20(22(33)26-13-21-28-30-31(3)29-21)27-19(25(36)37)8-9-32-23(34)17-11-15-6-4-5-7-16(15)12-18(17)24(32)35/h4-7,11-12,14,19-20,27H,8-10,13H2,1-3H3,(H,26,33)(H,36,37)/t19-,20+/m1/s1
PDB
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Reactome pathway
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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
CHEMBL
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PC sid
UniChem

Patents

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


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


J Med Chem 37: 674-88 (1994)


Article DOI: 10.1021/jm00031a018
BindingDB Entry DOI: 10.7270/Q2RV0MRC
More data for this
Ligand-Target Pair