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BDBM50247572 (R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrrolidin-1-yl)-N-hydroxypropanamide::CHEMBL515390

SMILES: C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO

InChI Key: InChIKey=MCVFKNHXPZRVBQ-VLIAUNLRSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50247572   
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))
BDBM50247572
PNG
((R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrroli...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O3/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
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35n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-9 (MMP-9)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50247572
PNG
((R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrroli...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O3/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
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82n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Matrix metalloprotease-2 (MMP-2)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50247572
PNG
((R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrroli...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O3/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
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2.29E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity towards Matrix metalloprotease-1 (MMP-1)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50247572
PNG
((R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrroli...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O3/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem 17: 444-59 (2009)


Article DOI: 10.1016/j.bmc.2008.11.067
BindingDB Entry DOI: 10.7270/Q2WH2QWZ
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50247572
PNG
((R)-2-((S)-3-(biphenyl-4-yl)-3-methyl-2-oxopyrroli...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O3/c1-14(18(23)21-25)22-13-12-20(2,19(22)24)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,14,25H,12-13H2,1-2H3,(H,21,23)/t14-,20+/m1/s1
PDB
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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Affinity for Tumor necrosis factor alpha converting enzyme (TACE)


J Med Chem 45: 4954-7 (2002)


BindingDB Entry DOI: 10.7270/Q2XP7497
More data for this
Ligand-Target Pair