BindingDB logo
myBDB logout

BDBM50082214 (2R,3S)-2-Benzofuran-2-ylmethyl-3,N*4*-dihydroxy-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-succinamide::CHEMBL316550

SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc2ccccc2o1)[C@H](O)C(=O)NO

InChI Key: InChIKey=KZLOGGIKLPWTCN-HBFSDRIKSA-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 = 50082214   
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))
BDBM50082214
PNG
((2R,3S)-2-Benzofuran-2-ylmethyl-3,N*4*-dihydroxy-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc2ccccc2o1)[C@H](O)C(=O)NO
Show InChI InChI=1S/C23H25N3O6/c1-24-22(29)18(11-14-7-3-2-4-8-14)25-21(28)17(20(27)23(30)26-31)13-16-12-15-9-5-6-10-19(15)32-16/h2-10,12,17-18,20,27,31H,11,13H2,1H3,(H,24,29)(H,25,28)(H,26,30)/t17-,18+,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against IgE receptor


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


Article DOI: 10.1016/s0960-894x(99)00552-1
BindingDB Entry DOI: 10.7270/Q2MK6C37
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50082214
PNG
((2R,3S)-2-Benzofuran-2-ylmethyl-3,N*4*-dihydroxy-N...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc2ccccc2o1)[C@H](O)C(=O)NO
Show InChI InChI=1S/C23H25N3O6/c1-24-22(29)18(11-14-7-3-2-4-8-14)25-21(28)17(20(27)23(30)26-31)13-16-12-15-9-5-6-10-19(15)32-16/h2-10,12,17-18,20,27,31H,11,13H2,1H3,(H,24,29)(H,25,28)(H,26,30)/t17-,18+,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a<100n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(99)00552-1
BindingDB Entry DOI: 10.7270/Q2MK6C37
More data for this
Ligand-Target Pair