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BDBM50446551 CHEMBL3110174

SMILES: Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1

InChI Key: InChIKey=DTGCLOCEXRIHBE-UHFFFAOYSA-M

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50446551   
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
Clathrin heavy chain 1


(Homo sapiens)
BDBM50446551
PNG
(CHEMBL3110174)
Show SMILES Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C19H14N2O5S/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10,20H2,(H,24,25,26)/p-1
PDB
MMDB

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PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)