null

SMILES: C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CNS(C)(=O)=O)c1

InChI Key: InChIKey=PRWMATBSEAQLLL-KRWDZBQOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 208904   

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 beta isoform (Homo sapiens (Human))	BDBM208904 (US9266878, 130a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CNS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H24ClFN8O3S/c1-17(37-27-22(26(32)34-16-35-27)12-11-20-10-9-19(31)15-33-20)28-38-24-8-4-7-23(30)25(24)29(40)39(28)21-6-3-5-18(13-21)14-36-43(2,41)42/h3-10,13,15-17,36H,14H2,1-2H3,(H3,32,34,35,37)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM208904 (US9266878, 130a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CNS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H24ClFN8O3S/c1-17(37-27-22(26(32)34-16-35-27)12-11-20-10-9-19(31)15-33-20)28-38-24-8-4-7-23(30)25(24)29(40)39(28)21-6-3-5-18(13-21)14-36-43(2,41)42/h3-10,13,15-17,36H,14H2,1-2H3,(H3,32,34,35,37)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM208904 (US9266878, 130a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CNS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H24ClFN8O3S/c1-17(37-27-22(26(32)34-16-35-27)12-11-20-10-9-19(31)15-33-20)28-38-24-8-4-7-23(30)25(24)29(40)39(28)21-6-3-5-18(13-21)14-36-43(2,41)42/h3-10,13,15-17,36H,14H2,1-2H3,(H3,32,34,35,37)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM208904 (US9266878, 130a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(CNS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C29H24ClFN8O3S/c1-17(37-27-22(26(32)34-16-35-27)12-11-20-10-9-19(31)15-33-20)28-38-24-8-4-7-23(30)25(24)29(40)39(28)21-6-3-5-18(13-21)14-36-43(2,41)42/h3-10,13,15-17,36H,14H2,1-2H3,(H3,32,34,35,37)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
					More data for this Ligand-Target Pair