BDBM50458736 CHEMBL4211402

SMILES: C[C@H]1COCCN1c1nc(cc(n1)C(C)(C)S(C)(=O)=O)-c1cnc(N)cc1F

InChI Key: InChIKey=HPMXVGXKAMXVCU-NSHDSACASA-N

Data: 1 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 1 hit for monomerid = 50458736   

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))	BDBM50458736 (CHEMBL4211402) Show SMILES C[C@H]1COCCN1c1nc(cc(n1)C(C)(C)S(C)(=O)=O)-c1cnc(N)cc1F |r| Show InChI InChI=1S/C18H24FN5O3S/c1-11-10-27-6-5-24(11)17-22-14(12-9-21-16(20)7-13(12)19)8-15(23-17)18(2,3)28(4,25)26/h7-9,11H,5-6,10H2,1-4H3,(H2,20,21)/t11-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Haiyan Pharmaceutical Technology Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...				ACS Med Chem Lett 9: 719-724 (2018) Article DOI: 10.1021/acsmedchemlett.8b00167 BindingDB Entry DOI: 10.7270/Q21V5HK8
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