null

SMILES: [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(Br)cs1)c1ncc(F)cn1

InChI Key: InChIKey=HFCSZAOVLDCJFH-BONVTDFDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50468041   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50468041 (CHEMBL4282976) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(Br)cs1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C15H14BrFN6OS/c1-22-12(24)10-5-23(14-19-3-9(17)4-20-14)7-15(10,21-13(22)18)11-2-8(16)6-25-11/h2-4,6,10H,5,7H2,1H3,(H2,18,21)/t10-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 expressed in HEK293 cells				J Med Chem 61: 10700-10708 (2018) Article DOI: 10.1021/acs.jmedchem.8b01326 BindingDB Entry DOI: 10.7270/Q2VX0K6D
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50468041 (CHEMBL4282976) Show SMILES [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(Br)cs1)c1ncc(F)cn1 |r| Show InChI InChI=1S/C15H14BrFN6OS/c1-22-12(24)10-5-23(14-19-3-9(17)4-20-14)7-15(10,21-13(22)18)11-2-8(16)6-25-11/h2-4,6,10H,5,7H2,1H3,(H2,18,21)/t10-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins followed by substrate/NADPH addition measured...				J Med Chem 61: 10700-10708 (2018) Article DOI: 10.1021/acs.jmedchem.8b01326 BindingDB Entry DOI: 10.7270/Q2VX0K6D
					More data for this Ligand-Target Pair