BDBM25025 4-[2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine::thieno[3,2-d]pyrimidine derivative, 20

SMILES: C1CN(CCO1)c1nc(nc2ccsc12)-c1cccc2[nH]ncc12

InChI Key: InChIKey=GXJBABITGPOFCK-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 2 hits for monomerid = 25025   

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))	BDBM25025 (4-[2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]...) Show SMILES C1CN(CCO1)c1nc(nc2ccsc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C17H15N5OS/c1-2-11(12-10-18-21-13(12)3-1)16-19-14-4-9-24-15(14)17(20-16)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha assessed as reduction in PIP3 formation after 30 mins by fluorescence polarization assay				J Med Chem 55: 8007-20 (2012) Article DOI: 10.1021/jm300867c BindingDB Entry DOI: 10.7270/Q2MC9152
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM25025 (4-[2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]...) Show SMILES C1CN(CCO1)c1nc(nc2ccsc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C17H15N5OS/c1-2-11(12-10-18-21-13(12)3-1)16-19-14-4-9-24-15(14)17(20-16)22-5-7-23-8-6-22/h1-4,9-10H,5-8H2,(H,18,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	7.5	22
Piramed Pharma					Assay Description Test compounds were added to reaction buffer containing yttrium silicate (Ysi) polylysine SPA beads (Amersham), and the enzyme was added to the assay...				J Med Chem 51: 5522-32 (2008) Article DOI: 10.1021/jm800295d BindingDB Entry DOI: 10.7270/Q2222S23
					More data for this Ligand-Target Pair