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BDBM50086332 CHEMBL3426028

SMILES: O=c1cc(NC2CCOCC2)c2cc(ccc2[nH]1)-c1cncs1

InChI Key: InChIKey=CSWOETBECUDEEP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50086332   
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 (Human))
BDBM50086332
PNG
(CHEMBL3426028)
Show SMILES O=c1cc(NC2CCOCC2)c2cc(ccc2[nH]1)-c1cncs1
Show InChI InChI=1S/C17H17N3O2S/c21-17-8-15(19-12-3-5-22-6-4-12)13-7-11(1-2-14(13)20-17)16-9-18-10-23-16/h1-2,7-10,12H,3-6H2,(H2,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 61n/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)


Article DOI: 10.1021/jm502009h
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086332
PNG
(CHEMBL3426028)
Show SMILES O=c1cc(NC2CCOCC2)c2cc(ccc2[nH]1)-c1cncs1
Show InChI InChI=1S/C17H17N3O2S/c21-17-8-15(19-12-3-5-22-6-4-12)13-7-11(1-2-14(13)20-17)16-9-18-10-23-16/h1-2,7-10,12H,3-6H2,(H2,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 11n/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)


Article DOI: 10.1021/jm502009h
More data for this
Ligand-Target Pair