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BDBM50086405 CHEMBL3426085

SMILES: N(c1ccc(cc1)-c1cnco1)c1ncnc2ccc(cc12)-c1cncs1

InChI Key: InChIKey=IDGSKYUWGRYWPT-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50086405   
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)
BDBM50086405
PNG
(CHEMBL3426085)
Show SMILES N(c1ccc(cc1)-c1cnco1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C20H13N5OS/c1-4-15(5-2-13(1)18-8-21-11-26-18)25-20-16-7-14(19-9-22-12-27-19)3-6-17(16)23-10-24-20/h1-12H,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 840n/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)
BDBM50086405
PNG
(CHEMBL3426085)
Show SMILES N(c1ccc(cc1)-c1cnco1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C20H13N5OS/c1-4-15(5-2-13(1)18-8-21-11-26-18)25-20-16-7-14(19-9-22-12-27-19)3-6-17(16)23-10-24-20/h1-12H,(H,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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