BDBM50501423 CHEMBL4060084

SMILES: C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1

InChI Key: InChIKey=DHXDHULDIFMZHS-ZETCQYMHSA-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 = 50501423   

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
p110α/p85α (Homo sapiens (Human))	BDBM50501423 (CHEMBL4060084) Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r| Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-11(18)13(20)25-17(21)26-14)15-24-12-8(3-2-4-9(12)19)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human full length PI3K p110alpha/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
					More data for this Ligand-Target Pair
p110β/p85α (Homo sapiens (Human))	BDBM50501423 (CHEMBL4060084) Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r| Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-11(18)13(20)25-17(21)26-14)15-24-12-8(3-2-4-9(12)19)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human PI3K p110beta/untagged recombinant full length human p85alpha expressed in baculov...				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50501423 (CHEMBL4060084) Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r| Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-11(18)13(20)25-17(21)26-14)15-24-12-8(3-2-4-9(12)19)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/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	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human full length PI3K p110delta/p85 alpha using PIP2/ATP as substrate after 30 mins by TR-FRET assay				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50501423 (CHEMBL4060084) Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r| Show InChI InChI=1S/C17H15ClFN9O/c1-7(23-14-11(18)13(20)25-17(21)26-14)15-24-12-8(3-2-4-9(12)19)16(29)28(15)10-5-6-22-27-10/h2-7H,1H3,(H,22,27)(H5,20,21,23,25,26)/t7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human full length PI3Kgamma using PIP2/ATP as substrate after 30 mins by TR-FRET assay				J Med Chem 60: 1555-1567 (2017) Article DOI: 10.1021/acs.jmedchem.6b01821 BindingDB Entry DOI: 10.7270/Q2BV7KNJ
					More data for this Ligand-Target Pair