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BDBM50110913 CHEMBL3604703

SMILES: Cc1cc(NCc2ccccc2)c2cccc(C(N)=O)c2n1

InChI Key: InChIKey=XJYDUOHIXMNAJL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110913   
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))
BDBM50110913
PNG
(CHEMBL3604703)
Show SMILES Cc1cc(NCc2ccccc2)c2cccc(C(N)=O)c2n1
Show InChI InChI=1S/C18H17N3O/c1-12-10-16(20-11-13-6-3-2-4-7-13)14-8-5-9-15(18(19)22)17(14)21-12/h2-10H,11H2,1H3,(H2,19,22)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay


J Med Chem 58: 7021-56 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00992
BindingDB Entry DOI: 10.7270/Q2542QCX
More data for this
Ligand-Target Pair