BDBM50208170 CHEMBL3902629

SMILES: C[C@H](Nc1ncnc2[nH]cc(F)c12)c1nn2cccc2c(=O)n1-c1ccccc1

InChI Key: InChIKey=XCNFGCBUHGJVHN-LBPRGKRZSA-N

Data: 2 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 2 hits for monomerid = 50208170   

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 delta isoform (Homo sapiens (Human))	BDBM50208170 (CHEMBL3902629) Show SMILES C[C@H](Nc1ncnc2[nH]cc(F)c12)c1nn2cccc2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C20H16FN7O/c1-12(25-18-16-14(21)10-22-17(16)23-11-24-18)19-26-27-9-5-8-15(27)20(29)28(19)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in human THP1 cells assessed as reduction in MCSF-stimulated akt phosphorylation at Thr308 preincubated for 30 mins followed ...				ACS Med Chem Lett 8: 118-123 (2017) Article DOI: 10.1021/acsmedchemlett.6b00438 BindingDB Entry DOI: 10.7270/Q2ZC84WF
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50208170 (CHEMBL3902629) Show SMILES C[C@H](Nc1ncnc2[nH]cc(F)c12)c1nn2cccc2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C20H16FN7O/c1-12(25-18-16-14(21)10-22-17(16)23-11-24-18)19-26-27-9-5-8-15(27)20(29)28(19)13-6-3-2-4-7-13/h2-12H,1H3,(H2,22,23,24,25)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His6-tagged PI3K p110delta/human p85alpha expressed in baculovirus infected sf21 cells using P...				ACS Med Chem Lett 8: 118-123 (2017) Article DOI: 10.1021/acsmedchemlett.6b00438 BindingDB Entry DOI: 10.7270/Q2ZC84WF
					More data for this Ligand-Target Pair