BDBM208819 US9266878, 44a

SMILES: C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=IYXBJXAFHFBNJU-KRWDZBQOSA-N

Data: 5 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 5 hits for monomerid = 208819   

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))	BDBM208819 (US9266878, 44a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H20ClN7O/c1-17(33-25-20(24(29)31-16-32-25)13-12-18-7-6-14-30-15-18)26-34-22-11-5-10-21(28)23(22)27(36)35(26)19-8-3-2-4-9-19/h2-11,14-17H,1H3,(H3,29,31,32,33)/t17-/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	550	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))	BDBM208819 (US9266878, 44a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H20ClN7O/c1-17(33-25-20(24(29)31-16-32-25)13-12-18-7-6-14-30-15-18)26-34-22-11-5-10-21(28)23(22)27(36)35(26)19-8-3-2-4-9-19/h2-11,14-17H,1H3,(H3,29,31,32,33)/t17-/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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM208819 (US9266878, 44a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H20ClN7O/c1-17(33-25-20(24(29)31-16-32-25)13-12-18-7-6-14-30-15-18)26-34-22-11-5-10-21(28)23(22)27(36)35(26)19-8-3-2-4-9-19/h2-11,14-17H,1H3,(H3,29,31,32,33)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...				J Med Chem 59: 3532-48 (2016) BindingDB Entry DOI: 10.7270/Q22Z17F0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM208819 (US9266878, 44a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H20ClN7O/c1-17(33-25-20(24(29)31-16-32-25)13-12-18-7-6-14-30-15-18)26-34-22-11-5-10-21(28)23(22)27(36)35(26)19-8-3-2-4-9-19/h2-11,14-17H,1H3,(H3,29,31,32,33)/t17-/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	550	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))	BDBM208819 (US9266878, 44a) Show SMILES C[C@H](Nc1ncnc(N)c1C#Cc1cccnc1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H20ClN7O/c1-17(33-25-20(24(29)31-16-32-25)13-12-18-7-6-14-30-15-18)26-34-22-11-5-10-21(28)23(22)27(36)35(26)19-8-3-2-4-9-19/h2-11,14-17H,1H3,(H3,29,31,32,33)/t17-/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