BDBM50239560 CHEMBL4081062

SMILES: CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1

InChI Key: InChIKey=ZKFIKPGKTPMGJP-FQEVSTJZSA-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 = 50239560   

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 gamma isoform (Homo sapiens (Human))	BDBM50239560 (CHEMBL4081062) Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PI3Kgamma (144 to 1102 residues) using DiC8-PIP2 as substrate preincubated for 15 mins followed by substr...				J Med Chem 60: 5057-5071 (2017) Article DOI: 10.1021/acs.jmedchem.7b00401 BindingDB Entry DOI: 10.7270/Q2T43W8X
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50239560 (CHEMBL4081062) Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor				J Med Chem 60: 5057-5071 (2017) Article DOI: 10.1021/acs.jmedchem.7b00401 BindingDB Entry DOI: 10.7270/Q2T43W8X
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50239560 (CHEMBL4081062) Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...				J Med Chem 60: 5057-5071 (2017) Article DOI: 10.1021/acs.jmedchem.7b00401 BindingDB Entry DOI: 10.7270/Q2T43W8X
					More data for this Ligand-Target Pair
p110β/p85α (Homo sapiens (Human))	BDBM50239560 (CHEMBL4081062) Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged PI3K p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...				J Med Chem 60: 5057-5071 (2017) Article DOI: 10.1021/acs.jmedchem.7b00401 BindingDB Entry DOI: 10.7270/Q2T43W8X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50239560 (CHEMBL4081062) Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human JeKo1 cells assessed as reduction in Akt phosphorylation at Ser473 residue preincubated for 60 mins followed by Anti...				J Med Chem 60: 5057-5071 (2017) Article DOI: 10.1021/acs.jmedchem.7b00401 BindingDB Entry DOI: 10.7270/Q2T43W8X
					More data for this Ligand-Target Pair