BDBM50396817 CHEMBL2170091

SMILES: Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1

InChI Key: InChIKey=ZRGWDDIDICLFTF-UHFFFAOYSA-N

Data: 3 KI  2 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 = 50396817   

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))	BDBM50396817 (CHEMBL2170091) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1 Show InChI InChI=1S/C20H25N9O3S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-29(8-6-28)33(2,31)32)10-23-18(16)26-15-3-4-17(30)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,30)(H,23,26)(H2,21,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110gamma expressed in baculovirus infected Hi5 cells using ATP as substrate after 20 mins by spec...				J Med Chem 55: 7796-816 (2012) Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50396817 (CHEMBL2170091) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1 Show InChI InChI=1S/C20H25N9O3S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-29(8-6-28)33(2,31)32)10-23-18(16)26-15-3-4-17(30)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,30)(H,23,26)(H2,21,24,25,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110alpha/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...				J Med Chem 55: 7796-816 (2012) Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50396817 (CHEMBL2170091) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1 Show InChI InChI=1S/C20H25N9O3S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-29(8-6-28)33(2,31)32)10-23-18(16)26-15-3-4-17(30)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,30)(H,23,26)(H2,21,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal polyHis-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf9 cells using phosphatidylinositol-4,5-bisp...				J Med Chem 55: 7796-816 (2012) Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50396817 (CHEMBL2170091) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1 Show InChI InChI=1S/C20H25N9O3S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-29(8-6-28)33(2,31)32)10-23-18(16)26-15-3-4-17(30)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,30)(H,23,26)(H2,21,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human VPS34				J Med Chem 55: 7796-816 (2012) Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50396817 (CHEMBL2170091) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1 Show InChI InChI=1S/C20H25N9O3S/c1-13-24-19(27-20(21)25-13)16-9-14(12-28-5-7-29(8-6-28)33(2,31)32)10-23-18(16)26-15-3-4-17(30)22-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,22,30)(H,23,26)(H2,21,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR				J Med Chem 55: 7796-816 (2012) Article DOI: 10.1021/jm300846z BindingDB Entry DOI: 10.7270/Q2028SPT
					More data for this Ligand-Target Pair