BindingDB logo
myBDB logout

BDBM50444028 CHEMBL3092522

SMILES: NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=IUZKJSCTIFAMLT-INIZCTEOSA-N

Data: 2 IC50

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 = 50444028   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50444028
PNG
(CHEMBL3092522)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N4O3/c21-19(26)16(12-13-6-2-1-3-7-13)23-18(25)11-10-17-22-15-9-5-4-8-14(15)20(27)24-17/h1-9,16H,10-12H2,(H2,21,26)(H,23,25)(H,22,24,27)/t16-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of full length ATRD3 (unknown origin)


J Med Chem 56: 9556-68 (2014)

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


(Homo sapiens (human))
BDBM50444028
PNG
(CHEMBL3092522)
Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H20N4O3/c21-19(26)16(12-13-6-2-1-3-7-13)23-18(25)11-10-17-22-15-9-5-4-8-14(15)20(27)24-17/h1-9,16H,10-12H2,(H2,21,26)(H,23,25)(H,22,24,27)/t16-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Ume£ University

Curated by ChEMBL


Assay Description
Inhibition of catalytic domain of ATRD1 (unknown origin)


J Med Chem 56: 9556-68 (2014)

More data for this
Ligand-Target Pair