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BDBM50387948 CHEMBL2058925::US9283222, 695

SMILES: Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cccnc1

InChI Key: InChIKey=GCRQDGOVBJEVCT-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50387948   
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))
BDBM50387948
PNG
(CHEMBL2058925 | US9283222, 695)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-22-18(4-2-8-27-22)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)17-3-1-7-26-15-17/h1,3,5-7,13,15,27H,2,4,8-12,14H2,(H,29,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting


Bioorg Med Chem 20: 4635-45 (2012)

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


(Homo sapiens (human))
BDBM50387948
PNG
(CHEMBL2058925 | US9283222, 695)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-22-18(4-2-8-27-22)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)17-3-1-7-26-15-17/h1,3,5-7,13,15,27H,2,4,8-12,14H2,(H,29,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
1n/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))
BDBM50387948
PNG
(CHEMBL2058925 | US9283222, 695)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cccnc1
Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-22-18(4-2-8-27-22)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)17-3-1-7-26-15-17/h1,3,5-7,13,15,27H,2,4,8-12,14H2,(H,29,32)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain...


Bioorg Med Chem 20: 4635-45 (2012)

More data for this
Ligand-Target Pair