BDBM82310 Purine, 5

SMILES: FC(F)(F)c1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1

InChI Key: InChIKey=DDSBPUYZPWNNGH-UHFFFAOYSA-N

Data: 1 KI  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 = 82310   

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
Inositol 1,4,5-trisphosphate 3-kinase (IP3K ) (Homo sapiens (Human))	BDBM82310 (Purine, 5) Show SMILES FC(F)(F)c1cccc(CNc2nc(NCc3ccc(cc3)N(=O)=O)c3[nH]cnc3n2)c1 Show InChI InChI=1S/C20H16F3N7O2/c21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	-7.61	1.02E+4	n/a	n/a	n/a	n/a	8.0	37
New York University					Assay Description IP3K reactions were carried out in a 100ul solution that contained Tris-Cl, EGTA, ATP, DTT, 2,3-diphosphoglycerate, D-l(1,4,5)P3, [3H]-l(1,4,5)P3 and...				Chembiochem 3: 897-901 (2002) Article DOI: 10.1002/1439-7633(20020902)3:9 BindingDB Entry DOI: 10.7270/Q2DJ5D4H
					More data for this Ligand-Target Pair