BDBM338849 US9751888, Compound 13

SMILES: C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(C)(=O)=O

InChI Key: InChIKey=BCNGCKQHALFUMO-LBPRGKRZSA-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 = 338849   

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))	BDBM338849 (US9751888, Compound 13) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(C)(=O)=O |r| Show InChI InChI=1S/C21H22ClN7O4S/c1-12(26-20(30)17-18(23)27-29-9-4-7-24-19(17)29)15-11-13-5-3-6-14(22)16(13)21(31)28(15)10-8-25-34(2,32)33/h3-7,9,11-12,25H,8,10H2,1-2H3,(H2,23,27)(H,26,30)/t12-/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))	BDBM338849 (US9751888, Compound 13) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(C)(=O)=O |r| Show InChI InChI=1S/C21H22ClN7O4S/c1-12(26-20(30)17-18(23)27-29-9-4-7-24-19(17)29)15-11-13-5-3-6-14(22)16(13)21(31)28(15)10-8-25-34(2,32)33/h3-7,9,11-12,25H,8,10H2,1-2H3,(H2,23,27)(H,26,30)/t12-/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	55	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))	BDBM338849 (US9751888, Compound 13) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(C)(=O)=O |r| Show InChI InChI=1S/C21H22ClN7O4S/c1-12(26-20(30)17-18(23)27-29-9-4-7-24-19(17)29)15-11-13-5-3-6-14(22)16(13)21(31)28(15)10-8-25-34(2,32)33/h3-7,9,11-12,25H,8,10H2,1-2H3,(H2,23,27)(H,26,30)/t12-/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))	BDBM338849 (US9751888, Compound 13) Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(Cl)c2c(=O)n1CCNS(C)(=O)=O |r| Show InChI InChI=1S/C21H22ClN7O4S/c1-12(26-20(30)17-18(23)27-29-9-4-7-24-19(17)29)15-11-13-5-3-6-14(22)16(13)21(31)28(15)10-8-25-34(2,32)33/h3-7,9,11-12,25H,8,10H2,1-2H3,(H2,23,27)(H,26,30)/t12-/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	750	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