BDBM342554 US10329299, Compound 105::US10675286, Compound 105::US9775844, Compound 105

SMILES: CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=VSDVUIUIBNFGST-DEOSSOPVSA-N

Data: 12 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 12 hits for monomerid = 342554   

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))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...				US Patent US9775844 (2017) BindingDB Entry DOI: 10.7270/Q2GQ70WH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...				US Patent US9775844 (2017) BindingDB Entry DOI: 10.7270/Q2GQ70WH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...				US Patent US9775844 (2017) BindingDB Entry DOI: 10.7270/Q2GQ70WH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...				US Patent US9775844 (2017) BindingDB Entry DOI: 10.7270/Q2GQ70WH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2KK9F5S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				US Patent US10675286 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2KK9F5S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2KK9F5S
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				US Patent US10675286 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				US Patent US10675286 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				US Patent US10675286 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM342554 (US10329299, Compound 105 | US10675286, Compound 10...) Show SMILES CC[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H24N8O2/c1-3-24(35-30(40)27-28(32)36-38-16-8-15-33-29(27)38)25-17-22-10-7-9-21(14-13-20-18-34-37(2)19-20)26(22)31(41)39(25)23-11-5-4-6-12-23/h4-12,15-19,24H,3H2,1-2H3,(H,35,40)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2KK9F5S
					More data for this Ligand-Target Pair