BDBM50396816 CHEMBL2170092

SMILES: Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(Cl)nc1

InChI Key: InChIKey=DDOGMZTWQKWDBQ-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 = 50396816   

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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50396816 (CHEMBL2170092) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(Cl)nc1 Show InChI InChI=1S/C20H24ClN9O2S/c1-13-25-19(28-20(22)26-13)16-9-14(12-29-5-7-30(8-6-29)33(2,31)32)10-24-18(16)27-15-3-4-17(21)23-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)	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	20	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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50396816 (CHEMBL2170092) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(Cl)nc1 Show InChI InChI=1S/C20H24ClN9O2S/c1-13-25-19(28-20(22)26-13)16-9-14(12-29-5-7-30(8-6-29)33(2,31)32)10-24-18(16)27-15-3-4-17(21)23-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)	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	21	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))	BDBM50396816 (CHEMBL2170092) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(Cl)nc1 Show InChI InChI=1S/C20H24ClN9O2S/c1-13-25-19(28-20(22)26-13)16-9-14(12-29-5-7-30(8-6-29)33(2,31)32)10-24-18(16)27-15-3-4-17(21)23-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50396816 (CHEMBL2170092) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(Cl)nc1 Show InChI InChI=1S/C20H24ClN9O2S/c1-13-25-19(28-20(22)26-13)16-9-14(12-29-5-7-30(8-6-29)33(2,31)32)10-24-18(16)27-15-3-4-17(21)23-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)	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
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50396816 (CHEMBL2170092) Show SMILES Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(Cl)nc1 Show InChI InChI=1S/C20H24ClN9O2S/c1-13-25-19(28-20(22)26-13)16-9-14(12-29-5-7-30(8-6-29)33(2,31)32)10-24-18(16)27-15-3-4-17(21)23-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)	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