BDBM342553 US10329299, Compound 104::US10675286, Compound 104::US9775844, Compound 104

SMILES: C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C

InChI Key: InChIKey=ONBZIXXWWQHJMS-SFHVURJKSA-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 = 342553   

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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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))	BDBM342553 (US10329299, Compound 104 | US10675286, Compound 10...) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1CCS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C28H29N9O4S/c1-18(32-27(38)24-25(29)33-37-12-6-11-30-26(24)37)22-15-21-8-5-7-20(10-9-19-16-31-35(4)17-19)23(21)28(39)36(22)13-14-42(40,41)34(2)3/h5-8,11-12,15-18H,13-14H2,1-4H3,(H2,29,33)(H,32,38)/t18-/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