BDBM81373 SW30

SMILES: Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)cccc23)nc2cccc(C)c2c1=O

InChI Key: InChIKey=PBLFNMOKPUCOQY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 81373   

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))	BDBM81373 (SW30) Show SMILES Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;-.85,-5.98,;-1.69,-7.27,;-3.23,-7.27,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)| Show InChI InChI=1S/C27H23N5O2/c1-17-8-3-4-13-22(17)32-24(29-20-11-5-9-18(2)25(20)27(32)34)16-31-23-14-6-10-19(28)26(23)21(30-31)12-7-15-33/h3-6,8-11,13-14,33H,15-16,28H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.				Chem Biol 17: 123-34 (2010) Article DOI: 10.1016/j.chembiol.2010.01.010 BindingDB Entry DOI: 10.7270/Q2CR5RVT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM81373 (SW30) Show SMILES Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;-.85,-5.98,;-1.69,-7.27,;-3.23,-7.27,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)| Show InChI InChI=1S/C27H23N5O2/c1-17-8-3-4-13-22(17)32-24(29-20-11-5-9-18(2)25(20)27(32)34)16-31-23-14-6-10-19(28)26(23)21(30-31)12-7-15-33/h3-6,8-11,13-14,33H,15-16,28H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.				Chem Biol 17: 123-34 (2010) Article DOI: 10.1016/j.chembiol.2010.01.010 BindingDB Entry DOI: 10.7270/Q2CR5RVT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM81373 (SW30) Show SMILES Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;-.85,-5.98,;-1.69,-7.27,;-3.23,-7.27,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)| Show InChI InChI=1S/C27H23N5O2/c1-17-8-3-4-13-22(17)32-24(29-20-11-5-9-18(2)25(20)27(32)34)16-31-23-14-6-10-19(28)26(23)21(30-31)12-7-15-33/h3-6,8-11,13-14,33H,15-16,28H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.				Chem Biol 17: 123-34 (2010) Article DOI: 10.1016/j.chembiol.2010.01.010 BindingDB Entry DOI: 10.7270/Q2CR5RVT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM81373 (SW30) Show SMILES Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;-.85,-5.98,;-1.69,-7.27,;-3.23,-7.27,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)| Show InChI InChI=1S/C27H23N5O2/c1-17-8-3-4-13-22(17)32-24(29-20-11-5-9-18(2)25(20)27(32)34)16-31-23-14-6-10-19(28)26(23)21(30-31)12-7-15-33/h3-6,8-11,13-14,33H,15-16,28H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.				Chem Biol 17: 123-34 (2010) Article DOI: 10.1016/j.chembiol.2010.01.010 BindingDB Entry DOI: 10.7270/Q2CR5RVT
					More data for this Ligand-Target Pair