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SMILES: COc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=YCOYCMSWGMQZAL-QHCPKHFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 362678   

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 alpha isoform (Homo sapiens (Human))	BDBM362678 (US9840498, 4) Show SMILES COc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C29H25N9O2/c1-17-21(14-30)25(36-28(31)34-17)37-13-7-12-23(37)26-35-22-11-6-10-20(18-15-32-29(40-2)33-16-18)24(22)27(39)38(26)19-8-4-3-5-9-19/h3-6,8-11,15-16,23H,7,12-13H2,1-2H3,(H2,31,34,36)/t23-/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	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...				US Patent US9840498 (2017) BindingDB Entry DOI: 10.7270/Q25X2C7X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM362678 (US9840498, 4) Show SMILES COc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C29H25N9O2/c1-17-21(14-30)25(36-28(31)34-17)37-13-7-12-23(37)26-35-22-11-6-10-20(18-15-32-29(40-2)33-16-18)24(22)27(39)38(26)19-8-4-3-5-9-19/h3-6,8-11,15-16,23H,7,12-13H2,1-2H3,(H2,31,34,36)/t23-/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	82	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...				US Patent US9840498 (2017) BindingDB Entry DOI: 10.7270/Q25X2C7X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM362678 (US9840498, 4) Show SMILES COc1ncc(cn1)-c1cccc2nc([C@@H]3CCCN3c3nc(N)nc(C)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C29H25N9O2/c1-17-21(14-30)25(36-28(31)34-17)37-13-7-12-23(37)26-35-22-11-6-10-20(18-15-32-29(40-2)33-16-18)24(22)27(39)38(26)19-8-4-3-5-9-19/h3-6,8-11,15-16,23H,7,12-13H2,1-2H3,(H2,31,34,36)/t23-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The TR-FRET Adapta Universal Kinase Assay Kit was purchased from Invitrogen Corporation (Carlsbad/CA, USA) (Cat. No. PV5099). The kit contains the fo...				US Patent US9840498 (2017) BindingDB Entry DOI: 10.7270/Q25X2C7X
					More data for this Ligand-Target Pair