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SMILES: O=c1[nH]c2cc(CN3CCN(CC3)c3cnc(cn3)C#N)ccc2c2NCCCc12

InChI Key: InChIKey=DBLBOZLZPCJKAH-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 = 419791   
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))
BDBM419791
PNG
(US10464919, Example 129)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3cnc(cn3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C22H23N7O/c23-11-16-12-26-20(13-25-16)29-8-6-28(7-9-29)14-15-3-4-17-19(10-15)27-22(30)18-2-1-5-24-21(17)18/h3-4,10,12-13,24H,1-2,5-9,14H2,(H,27,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.28n/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))
BDBM419791
PNG
(US10464919, Example 129)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3cnc(cn3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C22H23N7O/c23-11-16-12-26-20(13-25-16)29-8-6-28(7-9-29)14-15-3-4-17-19(10-15)27-22(30)18-2-1-5-24-21(17)18/h3-4,10,12-13,24H,1-2,5-9,14H2,(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.65n/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))
BDBM419791
PNG
(US10464919, Example 129)
Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3cnc(cn3)C#N)ccc2c2NCCCc12
Show InChI InChI=1S/C22H23N7O/c23-11-16-12-26-20(13-25-16)29-8-6-28(7-9-29)14-15-3-4-17-19(10-15)27-22(30)18-2-1-5-24-21(17)18/h3-4,10,12-13,24H,1-2,5-9,14H2,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.56n/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