BDBM339971 US10329299, Compound 1::US10675286, Compound 1::US9775844, Compound 1

SMILES: CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=SJJFZFNRKDREIX-INIZCTEOSA-N

Data: 14 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 14 hits for monomerid = 339971   

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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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 beta isoform (Homo sapiens (Human))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description A compound's ability in selectively inhibiting PI3K-γ can be assessed using RAW264.7 macrophages. Briefly, serum-starved RAW264.7 cells are ...				US Patent US10675286 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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 gamma isoform (Homo sapiens (Human))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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 delta isoform (Homo sapiens (Human))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. US Patent					Assay Description A compound's ability in selectively inhibiting PI3K-δ can be assessed using RAJI cells, i.e., B lymphocyte cells derived from lymphoma patie...				US Patent US10675286 (2020)
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM339971 (US10329299, Compound 1 | US10675286, Compound 1 | ...) Show SMILES CC#Cc1cccc2nc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C26H19N7O2/c1-3-9-17-10-7-13-19-20(17)26(35)33(18-11-5-4-6-12-18)23(30-19)16(2)29-25(34)21-22(27)31-32-15-8-14-28-24(21)32/h4-8,10-16H,1-2H3,(H,29,34)/t16-/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