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BDBM334100 5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]oxy}-9-ethyl-9H-purin-8- yl)-2-methoxypyridine-3- carbonitrile::US9730940, Compound 3-42

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(c1)C#N

InChI Key: InChIKey=XIKVRCRSYNDODR-INIZCTEOSA-N

Data: 1 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 1 hit for monomerid = 334100   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334100
PNG
(5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(c1)C#N
Show InChI InChI=1S/C22H23N7O3/c1-3-29-18(15-8-14(9-23)20(31-2)24-10-15)27-17-19(29)25-12-26-21(17)32-16-6-7-28(11-16)22(30)13-4-5-13/h8,10,12-13,16H,3-7,11H2,1-2H3/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair