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SMILES: Clc1cc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)c(cn1)C#N

InChI Key: InChIKey=UWIOUEAALWYOMW-UHFFFAOYSA-N

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 3 hits for monomerid = 419796   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM419796
PNG
(US10464919, Example 134)
Show SMILES Clc1cc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)c(cn1)C#N
Show InChI InChI=1S/C23H23ClN6O/c24-21-11-20(16(12-25)13-27-21)30-8-6-29(7-9-30)14-15-3-4-17-19(10-15)28-23(31)18-2-1-5-26-22(17)18/h3-4,10-11,13,26H,1-2,5-9,14H2,(H,28,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.2n/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
Activated CDC42 kinase 1


(Homo sapiens (Human))
BDBM419796
PNG
(US10464919, Example 134)
Show SMILES Clc1cc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)c(cn1)C#N
Show InChI InChI=1S/C23H23ClN6O/c24-21-11-20(16(12-25)13-27-21)30-8-6-29(7-9-30)14-15-3-4-17-19(10-15)28-23(31)18-2-1-5-26-22(17)18/h3-4,10-11,13,26H,1-2,5-9,14H2,(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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
Non-receptor tyrosine-protein kinase TNK1


(Homo sapiens (Human))
BDBM419796
PNG
(US10464919, Example 134)
Show SMILES Clc1cc(N2CCN(Cc3ccc4c5NCCCc5c(=O)[nH]c4c3)CC2)c(cn1)C#N
Show InChI InChI=1S/C23H23ClN6O/c24-21-11-20(16(12-25)13-27-21)30-8-6-29(7-9-30)14-15-3-4-17-19(10-15)28-23(31)18-2-1-5-26-22(17)18/h3-4,10-11,13,26H,1-2,5-9,14H2,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.15n/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