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BDBM50069582 (R)-N*1*-((S)-1-Benzylcarbamoyl-2-phenyl-ethyl)-N*4*-hydroxy-2-isobutyl-succinamide::CHEMBL96654

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=RZIOSGXPNNBJBD-RTWAWAEBSA-N

Data: 4 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 4 hits for monomerid = 50069582   
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
Immunoglobulin epsilon Fc receptor


(Homo sapiens (Human))
BDBM50069582
PNG
((R)-N*1*-((S)-1-Benzylcarbamoyl-2-phenyl-ethyl)-N*...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)13-20(15-22(28)27-31)23(29)26-21(14-18-9-5-3-6-10-18)24(30)25-16-19-11-7-4-8-12-19/h3-12,17,20-21,31H,13-16H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Tested for inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells ( a human B-cell line)


Bioorg Med Chem Lett 8: 23-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FT6
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50069582
PNG
((R)-N*1*-((S)-1-Benzylcarbamoyl-2-phenyl-ethyl)-N*...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)13-20(15-22(28)27-31)23(29)26-21(14-18-9-5-3-6-10-18)24(30)25-16-19-11-7-4-8-12-19/h3-12,17,20-21,31H,13-16H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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PubMed
n/an/a 30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards human recombinant fibroblast collagenase


Bioorg Med Chem Lett 8: 29-34 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q3W
More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens (Human))
BDBM50069582
PNG
((R)-N*1*-((S)-1-Benzylcarbamoyl-2-phenyl-ethyl)-N*...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)13-20(15-22(28)27-31)23(29)26-21(14-18-9-5-3-6-10-18)24(30)25-16-19-11-7-4-8-12-19/h3-12,17,20-21,31H,13-16H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition against CD23 (IgE receptor) proteolysis in membranes derived from RPM18866 cells


Bioorg Med Chem Lett 8: 29-34 (1999)


BindingDB Entry DOI: 10.7270/Q2TT4Q3W
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50069582
PNG
((R)-N*1*-((S)-1-Benzylcarbamoyl-2-phenyl-ethyl)-N*...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H31N3O4/c1-17(2)13-20(15-22(28)27-31)23(29)26-21(14-18-9-5-3-6-10-18)24(30)25-16-19-11-7-4-8-12-19/h3-12,17,20-21,31H,13-16H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t20-,21+/m1/s1
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PubMed
n/an/a 30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity towards human recombinant fibroblast collagenase


Bioorg Med Chem Lett 8: 23-8 (1999)


BindingDB Entry DOI: 10.7270/Q2ZK5FT6
More data for this
Ligand-Target Pair