BDBM50450686 CHEMBL4171841

SMILES: C[C@H](Nc1ncnc2[nH]cc(C(=O)Nc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=CKYACLUDESDZDP-KRWDZBQOSA-N

Data: 4 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 4 hits for monomerid = 50450686   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50450686 (CHEMBL4171841) Show SMILES C[C@H](Nc1ncnc2[nH]cc(C(=O)Nc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H24N8O3/c1-16-11-12-35-23(16)28(39)36(19-8-4-3-5-9-19)26(34-35)17(2)32-25-22-21(14-29-24(22)30-15-31-25)27(38)33-18-7-6-10-20(37)13-18/h3-15,17,37H,1-2H3,(H,33,38)(H2,29,30,31,32)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged full length p110delta/recombinant human full length p85alpha using PIP2 as substrate preincubat...				J Med Chem 61: 9551-9567 (2018) Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50450686 (CHEMBL4171841) Show SMILES C[C@H](Nc1ncnc2[nH]cc(C(=O)Nc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H24N8O3/c1-16-11-12-35-23(16)28(39)36(19-8-4-3-5-9-19)26(34-35)17(2)32-25-22-21(14-29-24(22)30-15-31-25)27(38)33-18-7-6-10-20(37)13-18/h3-15,17,37H,1-2H3,(H,33,38)(H2,29,30,31,32)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110beta/recombinant human full length p85alpha using PIP2 as substrate preincubat...				J Med Chem 61: 9551-9567 (2018) Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50450686 (CHEMBL4171841) Show SMILES C[C@H](Nc1ncnc2[nH]cc(C(=O)Nc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H24N8O3/c1-16-11-12-35-23(16)28(39)36(19-8-4-3-5-9-19)26(34-35)17(2)32-25-22-21(14-29-24(22)30-15-31-25)27(38)33-18-7-6-10-20(37)13-18/h3-15,17,37H,1-2H3,(H,33,38)(H2,29,30,31,32)/t17-/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	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110gamma using PIP2 as substrate preincubated for 30 mins followed by substrate a...				J Med Chem 61: 9551-9567 (2018) Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50450686 (CHEMBL4171841) Show SMILES C[C@H](Nc1ncnc2[nH]cc(C(=O)Nc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H24N8O3/c1-16-11-12-35-23(16)28(39)36(19-8-4-3-5-9-19)26(34-35)17(2)32-25-22-21(14-29-24(22)30-15-31-25)27(38)33-18-7-6-10-20(37)13-18/h3-15,17,37H,1-2H3,(H,33,38)(H2,29,30,31,32)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length p110alpha/recombinant human full length p85alpha using PIP2 as substrate preincuba...				J Med Chem 61: 9551-9567 (2018) Article DOI: 10.1021/acs.jmedchem.8b00873 BindingDB Entry DOI: 10.7270/Q2GB26MQ
					More data for this Ligand-Target Pair