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SMILES: CC(=O)NCCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12

InChI Key: InChIKey=NYYBZORHOVURNK-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 358676   
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))		BDBM358676
PNG
(N-(3-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...)
Show SMILES CC(=O)NCCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C23H25ClFN7O3/c1-13(33)27-7-6-19(34)31-9-8-30(22(35)23(31,2)3)18-10-14(4-5-16(18)25)17-11-15(24)20-21(26)28-12-29-32(17)20/h4-5,10-12H,6-9H2,1-3H3,(H,27,33)(H2,26,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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