BDBM50527633 CHEMBL4464812

SMILES: CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=XBZDKDNYELJFTM-NRFANRHFSA-N

Data: 5 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 5 hits for monomerid = 50527633   

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))	BDBM50527633 (CHEMBL4464812) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H28N10O3/c1-2-21(35-26-20(15-31)25(32)37-30(33)38-26)27-36-23-10-6-9-22(24(23)29(42)40(27)19-7-4-3-5-8-19)34-16-17-11-13-18(14-12-17)28(41)39-43/h3-14,21,34,43H,2,16H2,1H3,(H,39,41)(H5,32,33,35,37,38)/t21-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50527633 (CHEMBL4464812) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H28N10O3/c1-2-21(35-26-20(15-31)25(32)37-30(33)38-26)27-36-23-10-6-9-22(24(23)29(42)40(27)19-7-4-3-5-8-19)34-16-17-11-13-18(14-12-17)28(41)39-43/h3-14,21,34,43H,2,16H2,1H3,(H,39,41)(H5,32,33,35,37,38)/t21-/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	45	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50527633 (CHEMBL4464812) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H28N10O3/c1-2-21(35-26-20(15-31)25(32)37-30(33)38-26)27-36-23-10-6-9-22(24(23)29(42)40(27)19-7-4-3-5-8-19)34-16-17-11-13-18(14-12-17)28(41)39-43/h3-14,21,34,43H,2,16H2,1H3,(H,39,41)(H5,32,33,35,37,38)/t21-/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	842	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex u...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50527633 (CHEMBL4464812) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H28N10O3/c1-2-21(35-26-20(15-31)25(32)37-30(33)38-26)27-36-23-10-6-9-22(24(23)29(42)40(27)19-7-4-3-5-8-19)34-16-17-11-13-18(14-12-17)28(41)39-43/h3-14,21,34,43H,2,16H2,1H3,(H,39,41)(H5,32,33,35,37,38)/t21-/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	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC6 (1 to 1125 residues) expressed in baculovirus infected insect cells using fluorogenic pep...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50527633 (CHEMBL4464812) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(NCc3ccc(cc3)C(=O)NO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C30H28N10O3/c1-2-21(35-26-20(15-31)25(32)37-30(33)38-26)27-36-23-10-6-9-22(24(23)29(42)40(27)19-7-4-3-5-8-19)34-16-17-11-13-18(14-12-17)28(41)39-43/h3-14,21,34,43H,2,16H2,1H3,(H,39,41)(H5,32,33,35,37,38)/t21-/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	32	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta assessed as reduction in PIP3 product complex formation by measuring displacement of biotin-labelled PIP3 from complex ...				J Med Chem 63: 4256-4292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00193
					More data for this Ligand-Target Pair