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BDBM50086351 CHEMBL3426057

SMILES: Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12)-c1cncs1

InChI Key: InChIKey=MQZXDPKDXSHACX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50086351   
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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086351
PNG
(CHEMBL3426057)
Show SMILES Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12)-c1cncs1
Show InChI InChI=1S/C18H12ClFN4OS/c1-9-4-10(15-7-21-8-26-15)5-12-16(9)23-18(25)24-17(12)22-11-2-3-14(20)13(19)6-11/h2-8H,1H3,(H2,22,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/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
Lymphocyte differentiation antigen CD38


(Homo sapiens)
BDBM50086351
PNG
(CHEMBL3426057)
Show SMILES Cc1cc(cc2c(Nc3ccc(F)c(Cl)c3)nc(O)nc12)-c1cncs1
Show InChI InChI=1S/C18H12ClFN4OS/c1-9-4-10(15-7-21-8-26-15)5-12-16(9)23-18(25)24-17(12)22-11-2-3-14(20)13(19)6-11/h2-8H,1H3,(H2,22,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 28n/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