BDBM334009 6-({(3S)-1-[(1R,2S,4S)- bicyclo[2.2.1]hept-2- ylcarbonyl]pyrrolidin-3-yl}oxy)- 9-ethyl-8-(2-methylpyrimidin-5- yl)-9H-purine::US9730940, Compound 2-110

SMILES: CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12)-c1cnc(C)nc1

InChI Key: InChIKey=HBCPQWYVOADKMI-NBMJBFSESA-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 = 334009   

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))	BDBM334009 (6-({(3S)-1-[(1R,2S,4S)- bicyclo[2.2.1]hept-2- ylca...) Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12)-c1cnc(C)nc1 |r| Show InChI InChI=1S/C24H29N7O2/c1-3-31-21(17-10-25-14(2)26-11-17)29-20-22(31)27-13-28-23(20)33-18-6-7-30(12-18)24(32)19-9-15-4-5-16(19)8-15/h10-11,13,15-16,18-19H,3-9,12H2,1-2H3/t15-,16+,18-,19-/m0/s1	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme US Patent					Assay Description The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4× Reactio...				US Patent US9730940 (2017) BindingDB Entry DOI: 10.7270/Q2BP04WX
					More data for this Ligand-Target Pair