BindingDB logo
myBDB logout

BDBM50082217 (2R,3S)-2,N*1*-Dihydroxy-N*4*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-3-naphthalen-2-ylmethyl-succinamide::CHEMBL322138

SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO

InChI Key: InChIKey=SXOXCZACGQUJNW-FSSWDIPSSA-N

Data: 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 2 hits for monomerid = 50082217   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50082217
PNG
((2R,3S)-2,N*1*-Dihydroxy-N*4*-((S)-1-methylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO
Show InChI InChI=1S/C25H27N3O5/c1-26-24(31)21(15-16-7-3-2-4-8-16)27-23(30)20(22(29)25(32)28-33)14-17-11-12-18-9-5-6-10-19(18)13-17/h2-13,20-22,29,33H,14-15H2,1H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21+,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase(MMP-1)


Bioorg Med Chem Lett 9: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C37
More data for this
Ligand-Target Pair
Immunoglobulin epsilon Fc receptor


(Homo sapiens (Human))
BDBM50082217
PNG
((2R,3S)-2,N*1*-Dihydroxy-N*4*-((S)-1-methylcarbamo...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)NO
Show InChI InChI=1S/C25H27N3O5/c1-26-24(31)21(15-16-7-3-2-4-8-16)27-23(30)20(22(29)25(32)28-33)14-17-11-12-18-9-5-6-10-19(18)13-17/h2-13,20-22,29,33H,14-15H2,1H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21+,22+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 400n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against IgE receptor


Bioorg Med Chem Lett 9: 3165-70 (1999)


BindingDB Entry DOI: 10.7270/Q2MK6C37
More data for this
Ligand-Target Pair