null

SMILES: C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)cc1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1

InChI Key: InChIKey=JVXLUHXGSQHUTQ-ZDUSSCGKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 208794   

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))	BDBM208794 (US9266878, 17a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)cc1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H18ClF5N8O/c1-13(26-41-21-4-2-3-20(29)23(21)27(43)42(26)17-8-15(30)7-16(31)9-17)40-25-18(24(36)38-12-39-25)6-5-14-11-37-22(35)10-19(14)28(32,33)34/h2-4,7-13H,1H3,(H2,35,37)(H3,36,38,39,40)/t13-/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	550	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))	BDBM208794 (US9266878, 17a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)cc1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H18ClF5N8O/c1-13(26-41-21-4-2-3-20(29)23(21)27(43)42(26)17-8-15(30)7-16(31)9-17)40-25-18(24(36)38-12-39-25)6-5-14-11-37-22(35)10-19(14)28(32,33)34/h2-4,7-13H,1H3,(H2,35,37)(H3,36,38,39,40)/t13-/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	550	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))	BDBM208794 (US9266878, 17a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)cc1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H18ClF5N8O/c1-13(26-41-21-4-2-3-20(29)23(21)27(43)42(26)17-8-15(30)7-16(31)9-17)40-25-18(24(36)38-12-39-25)6-5-14-11-37-22(35)10-19(14)28(32,33)34/h2-4,7-13H,1H3,(H2,35,37)(H3,36,38,39,40)/t13-/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM208794 (US9266878, 17a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cnc(N)cc1C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H18ClF5N8O/c1-13(26-41-21-4-2-3-20(29)23(21)27(43)42(26)17-8-15(30)7-16(31)9-17)40-25-18(24(36)38-12-39-25)6-5-14-11-37-22(35)10-19(14)28(32,33)34/h2-4,7-13H,1H3,(H2,35,37)(H3,36,38,39,40)/t13-/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