BDBM50390421 CHEMBL2071335

SMILES: Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=GOGGLHLMEJTXOK-ZDUSSCGKSA-N

Data: 4 KI

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 4 hits for monomerid = 50390421   

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))	BDBM50390421 (CHEMBL2071335) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C17H20N4O4S2/c1-10-14(11-5-7-12(8-6-11)27(2,24)25)26-16(19-10)20-17(23)21-9-3-4-13(21)15(18)22/h5-8,13H,3-4,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay				Bioorg Med Chem Lett 22: 5445-50 (2012) Article DOI: 10.1016/j.bmcl.2012.07.042 BindingDB Entry DOI: 10.7270/Q28P61MR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50390421 (CHEMBL2071335) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C17H20N4O4S2/c1-10-14(11-5-7-12(8-6-11)27(2,24)25)26-16(19-10)20-17(23)21-9-3-4-13(21)15(18)22/h5-8,13H,3-4,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t13-/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 Similars	Article PubMed	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5445-50 (2012) Article DOI: 10.1016/j.bmcl.2012.07.042 BindingDB Entry DOI: 10.7270/Q28P61MR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50390421 (CHEMBL2071335) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C17H20N4O4S2/c1-10-14(11-5-7-12(8-6-11)27(2,24)25)26-16(19-10)20-17(23)21-9-3-4-13(21)15(18)22/h5-8,13H,3-4,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t13-/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 Similars	Article PubMed	5.81E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PI3K p110gamma using [32P]ATP after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5445-50 (2012) Article DOI: 10.1016/j.bmcl.2012.07.042 BindingDB Entry DOI: 10.7270/Q28P61MR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50390421 (CHEMBL2071335) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C17H20N4O4S2/c1-10-14(11-5-7-12(8-6-11)27(2,24)25)26-16(19-10)20-17(23)21-9-3-4-13(21)15(18)22/h5-8,13H,3-4,9H2,1-2H3,(H2,18,22)(H,19,20,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PI3K p110beta using [32P]ATP after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5445-50 (2012) Article DOI: 10.1016/j.bmcl.2012.07.042 BindingDB Entry DOI: 10.7270/Q28P61MR
					More data for this Ligand-Target Pair