BindingDB logo
myBDB logout

BDBM50315795 6-Fluoro-2-(2-fluoro-4-piperidin-2-ylphenyl)-1H-benzimidazole-4-carboxamide::CHEMBL1089132

SMILES: NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)C1CCCCN1

InChI Key: InChIKey=IKMSCTKNIPLUAO-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50315795   
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))
BDBM50315795
PNG
(6-Fluoro-2-(2-fluoro-4-piperidin-2-ylphenyl)-1H-be...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)C1CCCCN1
Show InChI InChI=1S/C19H18F2N4O/c20-11-8-13(18(22)26)17-16(9-11)24-19(25-17)12-5-4-10(7-14(12)21)15-3-1-2-6-23-15/h4-5,7-9,15,23H,1-3,6H2,(H2,22,26)(H,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 using [3H]NAD+ by top count scintillation counting


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50315795
PNG
(6-Fluoro-2-(2-fluoro-4-piperidin-2-ylphenyl)-1H-be...)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)C1CCCCN1
Show InChI InChI=1S/C19H18F2N4O/c20-11-8-13(18(22)26)17-16(9-11)24-19(25-17)12-5-4-10(7-14(12)21)15-3-1-2-6-23-15/h4-5,7-9,15,23H,1-3,6H2,(H2,22,26)(H,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells by FITC-conjugated DAPI staining


J Med Chem 53: 3142-53 (2010)


Article DOI: 10.1021/jm901775y
BindingDB Entry DOI: 10.7270/Q2N879XR
More data for this
Ligand-Target Pair