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BDBM50082221 (2R,3S)-N*1*-((S)-1-Carbamoyl-2,2-dimethyl-propyl)-2-(7-fluoro-naphthalen-2-ylmethyl)-3,N*4*-dihydroxy-succinamide::CHEMBL110713

SMILES: CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc2ccc(F)cc2c1)[C@H](O)C(=O)NO)C(N)=O

InChI Key: InChIKey=LZBZUJWYYDTNDA-IXDOHACOSA-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 = 50082221   
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))
BDBM50082221
PNG
((2R,3S)-N*1*-((S)-1-Carbamoyl-2,2-dimethyl-propyl)...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc2ccc(F)cc2c1)[C@H](O)C(=O)NO)C(N)=O
Show InChI InChI=1S/C21H26FN3O5/c1-21(2,3)17(18(23)27)24-19(28)15(16(26)20(29)25-30)9-11-4-5-12-6-7-14(22)10-13(12)8-11/h4-8,10,15-17,26,30H,9H2,1-3H3,(H2,23,27)(H,24,28)(H,25,29)/t15-,16+,17-/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 80n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50082221
PNG
((2R,3S)-N*1*-((S)-1-Carbamoyl-2,2-dimethyl-propyl)...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc2ccc(F)cc2c1)[C@H](O)C(=O)NO)C(N)=O
Show InChI InChI=1S/C21H26FN3O5/c1-21(2,3)17(18(23)27)24-19(28)15(16(26)20(29)25-30)9-11-4-5-12-6-7-14(22)10-13(12)8-11/h4-8,10,15-17,26,30H,9H2,1-3H3,(H2,23,27)(H,24,28)(H,25,29)/t15-,16+,17-/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+4n/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