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BDBM50086422 CHEMBL3426068

SMILES: Fc1ccc(Nc2ccnc3ccc(cc23)-c2cncs2)cc1Cl

InChI Key: InChIKey=PJJIVROEUNEVOG-UHFFFAOYSA-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 = 50086422   
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
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086422
PNG
(CHEMBL3426068)
Show SMILES Fc1ccc(Nc2ccnc3ccc(cc23)-c2cncs2)cc1Cl
Show InChI InChI=1S/C18H11ClFN3S/c19-14-8-12(2-3-15(14)20)23-17-5-6-22-16-4-1-11(7-13(16)17)18-9-21-10-24-18/h1-10H,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 298n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris assessed as NAD hydrolysis by colorimetric-based assay


J Med Chem 58: 3548-71 (2015)

More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086422
PNG
(CHEMBL3426068)
Show SMILES Fc1ccc(Nc2ccnc3ccc(cc23)-c2cncs2)cc1Cl
Show InChI InChI=1S/C18H11ClFN3S/c19-14-8-12(2-3-15(14)20)23-17-5-6-22-16-4-1-11(7-13(16)17)18-9-21-10-24-18/h1-10H,(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CD38 extracellular domain expressed in CHO CGE cells assessed as NAD hydrolysis by fluorescence plate reader analysis


J Med Chem 58: 3548-71 (2015)

More data for this
Ligand-Target Pair