BDBM338860 US9751888, Compound 48

SMILES: C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC#N)c3)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=AOHVDQNDKZDACW-SFHVURJKSA-N

Data: 4 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 4 hits for monomerid = 338860   

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
PI3-kinase class I (Homo sapiens (Human))	BDBM338860 (US9751888, Compound 48) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC#N)c3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H23N9O2/c1-18(34-28(39)25-26(31)35-37-13-6-12-32-27(25)37)23-15-19-7-5-10-22(20-16-33-36(17-20)14-11-30)24(19)29(40)38(23)21-8-3-2-4-9-21/h2-10,12-13,15-18H,14H2,1H3,(H2,31,35)(H,34,39)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+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 US9751888 (2017) BindingDB Entry DOI: 10.7270/Q2TB190M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM338860 (US9751888, Compound 48) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC#N)c3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H23N9O2/c1-18(34-28(39)25-26(31)35-37-13-6-12-32-27(25)37)23-15-19-7-5-10-22(20-16-33-36(17-20)14-11-30)24(19)29(40)38(23)21-8-3-2-4-9-21/h2-10,12-13,15-18H,14H2,1H3,(H2,31,35)(H,34,39)/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	300	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 US9751888 (2017) BindingDB Entry DOI: 10.7270/Q2TB190M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM338860 (US9751888, Compound 48) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC#N)c3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H23N9O2/c1-18(34-28(39)25-26(31)35-37-13-6-12-32-27(25)37)23-15-19-7-5-10-22(20-16-33-36(17-20)14-11-30)24(19)29(40)38(23)21-8-3-2-4-9-21/h2-10,12-13,15-18H,14H2,1H3,(H2,31,35)(H,34,39)/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	5.50E+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 US9751888 (2017) BindingDB Entry DOI: 10.7270/Q2TB190M
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM338860 (US9751888, Compound 48) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(-c3cnn(CC#N)c3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C29H23N9O2/c1-18(34-28(39)25-26(31)35-37-13-6-12-32-27(25)37)23-15-19-7-5-10-22(20-16-33-36(17-20)14-11-30)24(19)29(40)38(23)21-8-3-2-4-9-21/h2-10,12-13,15-18H,14H2,1H3,(H2,31,35)(H,34,39)/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	5.50E+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 US9751888 (2017) BindingDB Entry DOI: 10.7270/Q2TB190M
					More data for this Ligand-Target Pair