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BDBM213911 BDBM214404::US9283222, Table 3, Compound 18

SMILES: Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1ncccn1

InChI Key: InChIKey=KIUHBHFVVQQALF-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 213911   
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 (PARP1)


(Homo sapiens (human))
BDBM213911
PNG
(BDBM214404 | US9283222, Table 3, Compound 18)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H25FN6O2/c25-20-7-6-16(15-21-17-4-1-2-5-18(17)22(32)29-28-21)14-19(20)23(33)30-10-12-31(13-11-30)24-26-8-3-9-27-24/h3,6-9,14H,1-2,4-5,10-13,15H2,(H,29,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM213911
PNG
(BDBM214404 | US9283222, Table 3, Compound 18)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCCc23)cc1C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H25FN6O2/c25-20-7-6-16(15-21-17-4-1-2-5-18(17)22(32)29-28-21)14-19(20)23(33)30-10-12-31(13-11-30)24-26-8-3-9-27-24/h3,6-9,14H,1-2,4-5,10-13,15H2,(H,29,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.700n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...


Citation and Details
More data for this
Ligand-Target Pair