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BDBM50288674 CHEMBL420674::[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-butyl]-[(S)-2-((S)-3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-4-phenyl-butyl]-phosphinic acid

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=NWYFRVGJVQHAJF-JOMNFKBKSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50288674   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50288674
PNG
(CHEMBL420674 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31+/m1/s1
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PC cid
PC sid
UniChem
Article
1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of stromelysin-1 (MMP-3).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50288674
PNG
(CHEMBL420674 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of gelatinase-A (MMP-2).


Bioorg Med Chem Lett 6: 323-328 (1996)


Article DOI: 10.1016/0960-894X(96)00023-6
BindingDB Entry DOI: 10.7270/Q2X0671M
More data for this
Ligand-Target Pair