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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.4
BDBM419831

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

Found 3 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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM419831
PNG
(US10464919, Example 169)
Show SMILES Fc1ccc(nc1)N1CCN(Cc2cc(F)c3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-15-3-4-19(26-12-15)29-8-6-28(7-9-29)13-14-10-17(24)20-18(11-14)27-22(30)16-2-1-5-25-21(16)20/h3-4,10-12,25H,1-2,5-9,13H2,(H,27,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.47n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent


Assay Description
The PARP-1 enzyme inhibitory activities of the compounds of the present invention were assayed in the following manner by use of a kit (cat. 80551) p...


US Patent US10464919 (2019)


BindingDB Entry DOI: 10.7270/Q2736T8M
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TNK1


(Homo sapiens (Human))
BDBM419831
PNG
(US10464919, Example 169)
Show SMILES Fc1ccc(nc1)N1CCN(Cc2cc(F)c3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-15-3-4-19(26-12-15)29-8-6-28(7-9-29)13-14-10-17(24)20-18(11-14)27-22(30)16-2-1-5-25-21(16)20/h3-4,10-12,25H,1-2,5-9,13H2,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32.4n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent


Assay Description
The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of the compounds of the present invention were assayed in the following manner by use of ...


US Patent US10464919 (2019)


BindingDB Entry DOI: 10.7270/Q2736T8M
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))
BDBM419831
PNG
(US10464919, Example 169)
Show SMILES Fc1ccc(nc1)N1CCN(Cc2cc(F)c3c4NCCCc4c(=O)[nH]c3c2)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-15-3-4-19(26-12-15)29-8-6-28(7-9-29)13-14-10-17(24)20-18(11-14)27-22(30)16-2-1-5-25-21(16)20/h3-4,10-12,25H,1-2,5-9,13H2,(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 34.7n/an/an/an/an/an/a



Je Il Pharmaceutical Co., Ltd.

US Patent


Assay Description
The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of the compounds of the present invention were assayed in the following manner by use of ...


US Patent US10464919 (2019)


BindingDB Entry DOI: 10.7270/Q2736T8M
More data for this
Ligand-Target Pair