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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50086435   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM50086435
PNG
(CHEMBL3426036)
Show SMILES CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)OCCOC)cc1=O)-c1cncs1 |r,wU:14.18,wD:11.11,(2.4,-3.69,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;4.01,6.15,;2.68,5.39,;6.68,6.15,;6.68,7.69,;8.02,8.46,;8.02,10,;9.09,10.61,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
Show InChI InChI=1/C23H29N3O3S/c1-3-26-21-9-4-16(22-14-24-15-30-22)12-19(21)20(13-23(26)27)25-17-5-7-18(8-6-17)29-11-10-28-2/h4,9,12-15,17-18,25H,3,5-8,10-11H2,1-2H3/t17-,18-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.20n/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
Lymphocyte differentiation antigen CD38


(Homo sapiens (Human))
BDBM50086435
PNG
(CHEMBL3426036)
Show SMILES CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)OCCOC)cc1=O)-c1cncs1 |r,wU:14.18,wD:11.11,(2.4,-3.69,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;2.67,3.85,;4,3.07,;5.34,3.84,;5.34,5.38,;4.01,6.15,;2.68,5.39,;6.68,6.15,;6.68,7.69,;8.02,8.46,;8.02,10,;9.09,10.61,;2.66,.77,;2.66,-.77,;3.73,-1.38,;-4.01,1.54,;-5.4,.91,;-6.43,2.07,;-5.65,3.39,;-4.14,3.06,)|
Show InChI InChI=1/C23H29N3O3S/c1-3-26-21-9-4-16(22-14-24-15-30-22)12-19(21)20(13-23(26)27)25-17-5-7-18(8-6-17)29-11-10-28-2/h4,9,12-15,17-18,25H,3,5-8,10-11H2,1-2H3/t17-,18-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 54n/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