BDBM50512308 CHEMBL4474475

SMILES: CCn1ncc(c1C)-c1nc2c(S[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C

InChI Key: InChIKey=YMPNWOPBPIAKPI-INIZCTEOSA-N

Data: 3 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 3 hits for monomerid = 50512308   

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
p110α/p85α (Homo sapiens (Human))	BDBM50512308 (CHEMBL4474475) Show SMILES CCn1ncc(c1C)-c1nc2c(S[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H29N7O2S/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	597	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 62: 4370-4382 (2019) Article DOI: 10.1021/acs.jmedchem.8b01818
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50512308 (CHEMBL4474475) Show SMILES CCn1ncc(c1C)-c1nc2c(S[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H29N7O2S/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/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	572	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human Ramos cells assessed as reduction in anti-IgM-antibody-induced phosphorylation of AKT at Ser473 residue preincubated...				J Med Chem 62: 4370-4382 (2019) Article DOI: 10.1021/acs.jmedchem.8b01818
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50512308 (CHEMBL4474475) Show SMILES CCn1ncc(c1C)-c1nc2c(S[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r| Show InChI InChI=1S/C22H29N7O2S/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full length human p110delta/untagged recombinant full length human p85alpha expressed in baculovirus...				J Med Chem 62: 4370-4382 (2019) Article DOI: 10.1021/acs.jmedchem.8b01818
					More data for this Ligand-Target Pair