BDBM198042 BDBM198043::US9221795, 38

SMILES: C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1C

InChI Key: InChIKey=MODOHQQWQXQEQB-NSHDSACASA-N

Data: 2 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 2 hits for monomerid = 198042   

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))	BDBM198042 (BDBM198043 | US9221795, 38) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;.67,5,;-.67,5.77,)| Show InChI InChI=1S/C21H18ClN9O/c1-10-15(7-4-8-26-10)31-19(28-14-6-3-5-13(22)16(14)20(31)32)11(2)27-18-12(9-23)17(24)29-21(25)30-18/h3-8,11H,1-2H3,(H5,24,25,27,29,30)/t11-/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	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM198042 (BDBM198043 | US9221795, 38) Show SMILES C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;.67,5,;-.67,5.77,)| Show InChI InChI=1S/C21H18ClN9O/c1-10-15(7-4-8-26-10)31-19(28-14-6-3-5-13(22)16(14)20(31)32)11(2)27-18-12(9-23)17(24)29-21(25)30-18/h3-8,11H,1-2H3,(H5,24,25,27,29,30)/t11-/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	13	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...				US Patent US9221795 (2015) BindingDB Entry DOI: 10.7270/Q29C6W8T
					More data for this Ligand-Target Pair