BDBM50112816 CHEMBL3609519

SMILES: C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C

InChI Key: InChIKey=LOEKGCYPMNBADZ-RNCFNFMXSA-N

Data: 9 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 9 hits for monomerid = 50112816   

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))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr...				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PI or PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PI or PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI4Kbeta (unknown origin)				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kbeta expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kgamma expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of Vps34 (unknown origin)				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair