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BDBM50316236 2-(4-{[(2,2-Difluoroethyl)amino]methyl}phenyl)-2H-indazole-7-carboxamide::CHEMBL1094958

SMILES: NC(=O)c1cccc2cn(nc12)-c1ccc(CNCC(F)F)cc1

InChI Key: InChIKey=ZJQXJILIJAEYNO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316236   
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))
BDBM50316236
PNG
(2-(4-{[(2,2-Difluoroethyl)amino]methyl}phenyl)-2H-...)
Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(CNCC(F)F)cc1
Show InChI InChI=1S/C17H16F2N4O/c18-15(19)9-21-8-11-4-6-13(7-5-11)23-10-12-2-1-3-14(17(20)24)16(12)22-23/h1-7,10,15,21H,8-9H2,(H2,20,24)
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



IRBM/Merck Research Labs Rome

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 by SPA


J Med Chem 52: 7170-85 (2009)

More data for this
Ligand-Target Pair