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BDBM38019 US10093646, Compound 1

SMILES: Cc1cccc2cc(CN(CCN3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c12

InChI Key: InChIKey=AFVNZFNIJYFCSZ-UHFFFAOYSA-N

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 = 38019   
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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM38019
PNG
(US10093646, Compound 1)
Show SMILES Cc1cccc2cc(CN(CCN3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c12
Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
n/an/a 70n/an/an/an/a7.225



Novartis AG

US Patent


Assay Description
More specifically, the phosphatase reactions were performed at room temperature in 384-well black polystyrene plate, flat bottom, low flange, non-bin...


US Patent US10093646 (2018)

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