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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 508.5
BDBM638242

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Receptor tyrosine-protein kinase erbB-2 [676-775,'YVMA',776-1255]


(Homo sapiens (Human))
BDBM638242
PNG
(US11834453, Example 345 | US11834453, Example 394)
Show SMILES Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3(CCO3)CC2)ccc1Oc1ccc2n(C)cnc2c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 31.3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [676-775,'YVMA',776-1255]


(Homo sapiens (Human))
BDBM638242
PNG
(US11834453, Example 345 | US11834453, Example 394)
Show SMILES Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3(CCO3)CC2)ccc1Oc1ccc2n(C)cnc2c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 31.3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM638242
PNG
(US11834453, Example 345 | US11834453, Example 394)
Show SMILES Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3(CCO3)CC2)ccc1Oc1ccc2n(C)cnc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 57.8n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM638242
PNG
(US11834453, Example 345 | US11834453, Example 394)
Show SMILES Cc1cc(Nc2ncnc3cnc(nc23)N2CCC3(CCO3)CC2)ccc1Oc1ccc2n(C)cnc2c1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 57.8n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair