null

SMILES: C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1

InChI Key: InChIKey=NNZUCDOXJNQHEF-HNNXBMFYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 208870   

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))	BDBM208870 (US9266878, 96a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H18ClF2N7O/c1-15(35-25-21(24(31)33-14-34-25)9-8-19-7-5-18(30)13-32-19)26-36-23-10-6-17(29)12-22(23)27(38)37(26)20-4-2-3-16(28)11-20/h2-7,10-15H,1H3,(H3,31,33,34,35)/t15-/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))	BDBM208870 (US9266878, 96a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H18ClF2N7O/c1-15(35-25-21(24(31)33-14-34-25)9-8-19-7-5-18(30)13-32-19)26-36-23-10-6-17(29)12-22(23)27(38)37(26)20-4-2-3-16(28)11-20/h2-7,10-15H,1H3,(H3,31,33,34,35)/t15-/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))	BDBM208870 (US9266878, 96a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H18ClF2N7O/c1-15(35-25-21(24(31)33-14-34-25)9-8-19-7-5-18(30)13-32-19)26-36-23-10-6-17(29)12-22(23)27(38)37(26)20-4-2-3-16(28)11-20/h2-7,10-15H,1H3,(H3,31,33,34,35)/t15-/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))	BDBM208870 (US9266878, 96a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1ccc(F)cn1)c1nc2ccc(F)cc2c(=O)n1-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H18ClF2N7O/c1-15(35-25-21(24(31)33-14-34-25)9-8-19-7-5-18(30)13-32-19)26-36-23-10-6-17(29)12-22(23)27(38)37(26)20-4-2-3-16(28)11-20/h2-7,10-15H,1H3,(H3,31,33,34,35)/t15-/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