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BDBM358673 N-(3-(4-(3-(4-amino-5-cyanopyrrolo [2,1-f][1,2,4]triazin-7-yl)phenyl)-2,2- dimethyl-3-oxopiperazin-1-yl)-3- oxopropyl)methanesulfonamide::US10214537, Example 750

SMILES: CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(C#N)c2c(N)ncnn12)C(=O)CCNS(C)(=O)=O

InChI Key: InChIKey=VQTFAGBLYMBTLF-UHFFFAOYSA-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 = 358673   
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/gamma isoform


(Homo sapiens (Human))
BDBM358673
PNG
(N-(3-(4-(3-(4-amino-5-cyanopyrrolo [2,1-f][1,2,4]t...)
Show SMILES CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(C#N)c2c(N)ncnn12)C(=O)CCNS(C)(=O)=O
Show InChI InChI=1S/C23H26N8O4S/c1-23(2)22(33)29(9-10-30(23)19(32)7-8-28-36(3,34)35)17-6-4-5-15(11-17)18-12-16(13-24)20-21(25)26-14-27-31(18)20/h4-6,11-12,14,28H,7-10H2,1-3H3,(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


BindingDB Entry DOI: 10.7270/Q2HH6NB2
More data for this
Ligand-Target Pair