BDBM36408 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, PP494::CID24905153

SMILES: COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12

InChI Key: InChIKey=ITOYZJGFTNTKKR-UHFFFAOYSA-N

Data: 14 IC50

PDB links: 1 PDB ID matches this monomer.

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 14 hits for monomerid = 36408   

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))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ p110-beta (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ p110-delta (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ p110-beta (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ DNA-PK (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ mTOR (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ PDGFR (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ Hck (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ Src (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair				3D Structure (crystal)
PI3K-alpha/ Src Mutant (T338I) (Homo sapiens (Human)-Gallus gallus (Chicken))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair				3D Structure (crystal)
PI3K-alpha/ VEGFR2 (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ EGFR (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ EphB4 (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair
PI3K-alpha/ Abl (Homo sapiens (Human))	BDBM36408 (1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...) Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of California, San Francisco					Assay Description The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...				Nat Chem Biol 4: 691-9 (2008) Article DOI: 10.1038/nchembio.117 BindingDB Entry DOI: 10.7270/Q2NP22S9
					More data for this Ligand-Target Pair