BDBM50234150 CHEMBL4061634

SMILES: Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1nnc2ccccc12

InChI Key: InChIKey=XOIZTLBSABIUDC-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50234150   

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))	BDBM50234150 (CHEMBL4061634) Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H19N9/c1-30-21(22(11-12-22)14-7-3-2-4-8-14)26-19(28-30)16-13-24-18(23)20(25-16)31-17-10-6-5-9-15(17)27-29-31/h2-10,13H,11-12H2,1H3,(H2,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	501	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...				Bioorg Med Chem Lett 27: 679-687 (2017) BindingDB Entry DOI: 10.7270/Q2TF00MM
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50234150 (CHEMBL4061634) Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H19N9/c1-30-21(22(11-12-22)14-7-3-2-4-8-14)26-19(28-30)16-13-24-18(23)20(25-16)31-17-10-6-5-9-15(17)27-29-31/h2-10,13H,11-12H2,1H3,(H2,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	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 PI3K p110alpha/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...				Bioorg Med Chem Lett 27: 679-687 (2017) BindingDB Entry DOI: 10.7270/Q2TF00MM
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50234150 (CHEMBL4061634) Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H19N9/c1-30-21(22(11-12-22)14-7-3-2-4-8-14)26-19(28-30)16-13-24-18(23)20(25-16)31-17-10-6-5-9-15(17)27-29-31/h2-10,13H,11-12H2,1H3,(H2,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	3.20	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 p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...				Bioorg Med Chem Lett 27: 679-687 (2017) BindingDB Entry DOI: 10.7270/Q2TF00MM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50234150 (CHEMBL4061634) Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H19N9/c1-30-21(22(11-12-22)14-7-3-2-4-8-14)26-19(28-30)16-13-24-18(23)20(25-16)31-17-10-6-5-9-15(17)27-29-31/h2-10,13H,11-12H2,1H3,(H2,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	4	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 p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit...				Bioorg Med Chem Lett 27: 679-687 (2017) BindingDB Entry DOI: 10.7270/Q2TF00MM
					More data for this Ligand-Target Pair				3D Structure (crystal)
p110β/p85α (Homo sapiens (Human))	BDBM50234150 (CHEMBL4061634) Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1nnc2ccccc12 Show InChI InChI=1S/C22H19N9/c1-30-21(22(11-12-22)14-7-3-2-4-8-14)26-19(28-30)16-13-24-18(23)20(25-16)31-17-10-6-5-9-15(17)27-29-31/h2-10,13H,11-12H2,1H3,(H2,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	6.31E+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 p110beta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate additi...				Bioorg Med Chem Lett 27: 679-687 (2017) BindingDB Entry DOI: 10.7270/Q2TF00MM
					More data for this Ligand-Target Pair