BDBM50390411 CHEMBL2071342

SMILES: CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1

InChI Key: InChIKey=WBQNJPBYOGNEQC-UHFFFAOYSA-N

Data: 4 KI  6 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 10 hits for monomerid = 50390411   

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))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	36	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))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	320	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	470	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 alpha isoform (Homo sapiens (Human))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.40E+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 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
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CLK2				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-kinase beta (Homo sapiens (Human))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of PI4Kbeta				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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Vps34				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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of mTOR				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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of DNA-PK				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
Dual specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM50390411 (CHEMBL2071342) Show SMILES CCn1nnc(CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H20FN7O3S2/c1-4-25-23-14(22-24-25)7-8-19-16(26)21-17-20-10(2)15(29-17)11-5-6-13(12(18)9-11)30(3,27)28/h5-6,9H,4,7-8H2,1-3H3,(H2,19,20,21,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of CLK1				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