BDBM50533770 CHEMBL4454454

SMILES: COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1

InChI Key: InChIKey=DZQVHAFGMMDEPH-FQEVSTJZSA-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 = 50533770   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 Displacement of [3H]dofetilide from recombinant human ERG transfected in HEK293 cell membranes after 60 mins by scintillation counting				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	399	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo lu...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article 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 PI3Kgamma (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	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) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+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 recombinant PI3Kbeta (unknown origin) using phosphatidyl inositol as substrate after 30 to 60 mins in presence of ATP by Kinase Glo lum...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+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 human PI3Kalpha expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
PI3K p110 delta/p85 alpha (Mus musculus (Mouse))	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	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 in Balb/c mouse B cells assessed as reduction in anti-IgM induced CD86 expression preincubated for 1 hr followed by anti-IgM ...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50533770 (CHEMBL4454454) Show SMILES COc1ccc(cn1)-c1ccc2ncnc(N3CCC[C@@H](C3)C(=O)N3CCN(C)CC3)c2c1 |r| Show InChI InChI=1S/C25H30N6O2/c1-29-10-12-30(13-11-29)25(32)20-4-3-9-31(16-20)24-21-14-18(5-7-22(21)27-17-28-24)19-6-8-23(33-2)26-15-19/h5-8,14-15,17,20H,3-4,9-13,16H2,1-2H3/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.62E+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 human PI3Kbeta expressed in rat-1 fibroblasts assessed as reduction in Akt phosphorylation at Ser 473 after 1 hr by alphascreen assay				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119
					More data for this Ligand-Target Pair