BDBM208923 US9266878, 149a

SMILES: C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=LGEUBSVIHVHOEM-INIZCTEOSA-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 = 208923   

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 beta isoform (Homo sapiens (Human))	BDBM208923 (US9266878, 149a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H20ClF2N7O/c1-16(27-37-22-9-5-8-21(29)23(22)28(39)38(27)19-6-3-2-4-7-19)36-26-20(25(32)34-15-35-26)11-10-18-14-17(24(30)31)12-13-33-18/h2-9,12-16,24H,1H3,(H3,32,34,35,36)/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	<100	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM208923 (US9266878, 149a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H20ClF2N7O/c1-16(27-37-22-9-5-8-21(29)23(22)28(39)38(27)19-6-3-2-4-7-19)36-26-20(25(32)34-15-35-26)11-10-18-14-17(24(30)31)12-13-33-18/h2-9,12-16,24H,1H3,(H3,32,34,35,36)/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	>1.00E+3	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM208923 (US9266878, 149a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H20ClF2N7O/c1-16(27-37-22-9-5-8-21(29)23(22)28(39)38(27)19-6-3-2-4-7-19)36-26-20(25(32)34-15-35-26)11-10-18-14-17(24(30)31)12-13-33-18/h2-9,12-16,24H,1H3,(H3,32,34,35,36)/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	<100	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM208923 (US9266878, 149a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cc(ccn1)C(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C28H20ClF2N7O/c1-16(27-37-22-9-5-8-21(29)23(22)28(39)38(27)19-6-3-2-4-7-19)36-26-20(25(32)34-15-35-26)11-10-18-14-17(24(30)31)12-13-33-18/h2-9,12-16,24H,1H3,(H3,32,34,35,36)/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	<100	n/a	n/a	n/a	n/a	7.4	25
Gilead Calistoga LLC US Patent					Assay Description PI3K isoforms were assayed under initial rate conditions in the presence of 25 mM Hepes (pH 7.4), and 2xKm ATP (100-300 uM), 10 uM PIP2, 5% glycerol,...				US Patent US9266878 (2016) BindingDB Entry DOI: 10.7270/Q28K77W5
					More data for this Ligand-Target Pair