BindingDB logo
myBDB logout

BDBM50323941 (2S)-2-Amino-N-(1-(2-(3-chloro-4-fluorophenylamino)-2-oxoethyl)-2,6-dioxopiperidin-3-yl)-3-phenylpropanamide::CHEMBL1214591

SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O

InChI Key: InChIKey=FWHRTJQKPZGSSY-YTXKPMTANA-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 = 50323941   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50323941
PNG
((2S)-2-Amino-N-(1-(2-(3-chloro-4-fluorophenylamino...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O
Show InChI InChI=1/C22H22ClFN4O4/c23-15-11-14(6-7-16(15)24)26-19(29)12-28-20(30)9-8-18(22(28)32)27-21(31)17(25)10-13-4-2-1-3-5-13/h1-7,11,17-18H,8-10,12,25H2,(H,26,29)(H,27,31)/t17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.31E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of MMP2 after 30 mins


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50323941
PNG
((2S)-2-Amino-N-(1-(2-(3-chloro-4-fluorophenylamino...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O
Show InChI InChI=1/C22H22ClFN4O4/c23-15-11-14(6-7-16(15)24)26-19(29)12-28-20(30)9-8-18(22(28)32)27-21(31)17(25)10-13-4-2-1-3-5-13/h1-7,11,17-18H,8-10,12,25H2,(H,26,29)(H,27,31)/t17-,18-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of pig kidney microsome aminopeptidase N after 30 mins by UV-vis spectrophotometric analysis


Bioorg Med Chem 18: 5981-7 (2010)


Article DOI: 10.1016/j.bmc.2010.06.078
BindingDB Entry DOI: 10.7270/Q20R9PKH
More data for this
Ligand-Target Pair