BDBM50112830 CHEMBL3609517

SMILES: [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O

InChI Key: InChIKey=DSQLRBWAJKNKPQ-HOGDKLEQSA-N

Data: 7 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 7 hits for monomerid = 50112830   

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))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/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	4.50E+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 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))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/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	8.00E+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 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))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/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	5.60E+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 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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/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	9	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))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/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+4	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))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/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+4	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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/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 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