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SMILES: CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCCCS1(=O)=O

InChI Key: InChIKey=UCIRLPDVVSDKMU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 358666   
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))		BDBM358666
PNG
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)
Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCCCS1(=O)=O
Show InChI InChI=1S/C25H27ClN8O4S/c1-25(2)24(36)32(8-9-33(25)21(35)14-31-7-3-4-10-39(31,37)38)19-11-16(5-6-17(19)13-27)20-12-18(26)22-23(28)29-15-30-34(20)22/h5-6,11-12,15H,3-4,7-10,14H2,1-2H3,(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Company

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