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BDBM50086333 CHEMBL3426027

SMILES: CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)C(=O)NC)cc1=O)-c1cncs1

InChI Key: InChIKey=HRPDLIRHUMUQDQ-KOMQPUFPNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50086333   
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))
BDBM50086333
PNG
(CHEMBL3426027)
Show SMILES CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)C(=O)NC)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,;6.68,6.14,;6.69,7.37,;8.01,5.36,;9.08,5.97,;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/C22H26N4O2S/c1-3-26-19-9-6-15(20-12-24-13-29-20)10-17(19)18(11-21(26)27)25-16-7-4-14(5-8-16)22(28)23-2/h6,9-14,16,25H,3-5,7-8H2,1-2H3,(H,23,28)/t14-,16-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 58n/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
More data for this
Ligand-Target Pair
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Mus musculus)
BDBM50086333
PNG
(CHEMBL3426027)
Show SMILES CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)C(=O)NC)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,;6.68,6.14,;6.69,7.37,;8.01,5.36,;9.08,5.97,;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/C22H26N4O2S/c1-3-26-19-9-6-15(20-12-24-13-29-20)10-17(19)18(11-21(26)27)25-16-7-4-14(5-8-16)22(28)23-2/h6,9-14,16,25H,3-5,7-8H2,1-2H3,(H,23,28)/t14-,16-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.10n/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
More data for this
Ligand-Target Pair