BindingDB logo
myBDB logout

BDBM50444462 CHEMBL3092609

SMILES: C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)C1CC1

InChI Key: InChIKey=VKEICTONBXTKAQ-KKXOVAEGNA-N

Data: 1 IC50  1 EC50

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 = 50444462   
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
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444462
PNG
(CHEMBL3092609)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)C1CC1
Show InChI InChI=1/C12H16ClNO4/c1-11-7(4-5-13)9(16)14-12(11,10(17)18-11)8(15)6-2-3-6/h6-8,15H,2-5H2,1H3,(H,14,16)/t7-,8-,11-,12-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of human 20S proteasome after 1 hr by luminescence assay


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50444462
PNG
(CHEMBL3092609)
Show SMILES C[C@@]12OC(=O)[C@@]1(NC(=O)[C@@H]2CCCl)[C@@H](O)C1CC1
Show InChI InChI=1/C12H16ClNO4/c1-11-7(4-5-13)9(16)14-12(11,10(17)18-11)8(15)6-2-3-6/h6-8,15H,2-5H2,1H3,(H,14,16)/t7-,8-,11-,12-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 360n/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin like activity of 20S proteasome in HEK293 cells after 24 hrs by microscopic analysis


Bioorg Med Chem Lett 23: 6905-10 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.066
BindingDB Entry DOI: 10.7270/Q2ZG6TQR
More data for this
Ligand-Target Pair