BDBM358694 N-(4-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]triazin-7-yl)-2- fluorophenyl)-2,2-dimethyl-3- oxopiperazin-1-yl)-2-oxoethyl) methanesulfonamide::US10214537, Example 772

SMILES: CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CNS(C)(=O)=O

InChI Key: InChIKey=VPIAPWMXVKEUFE-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 = 358694   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM358694 (N-(4-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...) Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CNS(C)(=O)=O Show InChI InChI=1S/C21H23ClFN7O4S/c1-21(2)20(32)28(6-7-29(21)17(31)10-27-35(3,33)34)16-8-12(4-5-14(16)23)15-9-13(22)18-19(24)25-11-26-30(15)18/h4-5,8-9,11,27H,6-7,10H2,1-3H3,(H2,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/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
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