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BDBM50086404 CHEMBL3426086

SMILES: N(c1ccc(cc1)-n1ccnc1)c1ncnc2ccc(cc12)-c1cncs1

InChI Key: InChIKey=JQZFVAWTPLKKSF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50086404   
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))
BDBM50086404
PNG
(CHEMBL3426086)
Show SMILES N(c1ccc(cc1)-n1ccnc1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C20H14N6S/c1-6-18-17(9-14(1)19-10-22-13-27-19)20(24-11-23-18)25-15-2-4-16(5-3-15)26-8-7-21-12-26/h1-13H,(H,23,24,25)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 460n/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
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086404
PNG
(CHEMBL3426086)
Show SMILES N(c1ccc(cc1)-n1ccnc1)c1ncnc2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C20H14N6S/c1-6-18-17(9-14(1)19-10-22-13-27-19)20(24-11-23-18)25-15-2-4-16(5-3-15)26-8-7-21-12-26/h1-13H,(H,23,24,25)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/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
BindingDB Entry DOI: 10.7270/Q2NV9M00
More data for this
Ligand-Target Pair