null

SMILES: C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=UAWLZWDKMPLQRB-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 342551   

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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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 delta isoform (Homo sapiens (Human))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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	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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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	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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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 delta isoform (Homo sapiens (Human))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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	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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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))	BDBM342551 (US10329299, Compound 102 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1cnn2c(C)ccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r,$;;;;O;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C31H25N7O2/c1-20-14-15-32-29-26(18-34-38(20)29)30(39)35-21(2)27-16-24-9-7-8-23(13-12-22-17-33-36(3)19-22)28(24)31(40)37(27)25-10-5-4-6-11-25/h4-11,14-19,21H,1-3H3,(H,35,39)/t21-/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