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SMILES: Fc1cc(ccc1N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1)C(=O)NC1CC1

InChI Key: InChIKey=IXNZYKNOAINDTN-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 = 419731   
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))
BDBM419731
PNG
(US10464919, Example 69)
Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H30FN5O2/c28-22-15-18(26(34)30-19-5-6-19)4-8-24(22)33-12-10-32(11-13-33)16-17-3-7-20-23(14-17)31-27(35)21-2-1-9-29-25(20)21/h3-4,7-8,14-15,19,29H,1-2,5-6,9-13,16H2,(H,30,34)(H,31,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.04n/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))
BDBM419731
PNG
(US10464919, Example 69)
Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H30FN5O2/c28-22-15-18(26(34)30-19-5-6-19)4-8-24(22)33-12-10-32(11-13-33)16-17-3-7-20-23(14-17)31-27(35)21-2-1-9-29-25(20)21/h3-4,7-8,14-15,19,29H,1-2,5-6,9-13,16H2,(H,30,34)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.32n/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))
BDBM419731
PNG
(US10464919, Example 69)
Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C27H30FN5O2/c28-22-15-18(26(34)30-19-5-6-19)4-8-24(22)33-12-10-32(11-13-33)16-17-3-7-20-23(14-17)31-27(35)21-2-1-9-29-25(20)21/h3-4,7-8,14-15,19,29H,1-2,5-6,9-13,16H2,(H,30,34)(H,31,35)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.77n/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