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BDBM50086431 CHEMBL3426032

SMILES: COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1

InChI Key: InChIKey=HJCHDZGEJHNQGD-WKILWMFISA-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 = 50086431   
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)
BDBM50086431
PNG
(CHEMBL3426032)
Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C21H25N3O3S/c1-26-8-9-27-16-5-3-15(4-6-16)23-19-11-21(25)24-18-7-2-14(10-17(18)19)20-12-22-13-28-20/h2,7,10-13,15-16H,3-6,8-9H2,1H3,(H2,23,24,25)/t15-,16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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)
BDBM50086431
PNG
(CHEMBL3426032)
Show SMILES COCCO[C@H]1CC[C@@H](CC1)Nc1cc(=O)[nH]c2ccc(cc12)-c1cncs1
Show InChI InChI=1S/C21H25N3O3S/c1-26-8-9-27-16-5-3-15(4-6-16)23-19-11-21(25)24-18-7-2-14(10-17(18)19)20-12-22-13-28-20/h2,7,10-13,15-16H,3-6,8-9H2,1H3,(H2,23,24,25)/t15-,16-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/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