BDBM50271165 CHEMBL4128375

SMILES: [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(Br)cnc23)ccc1F

InChI Key: InChIKey=WFTGZFLRKOTOMZ-VGOFRKELSA-N

Data: 2 KI

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 = 50271165   

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 2 (Homo sapiens (Human))	BDBM50271165 (CHEMBL4128375) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(Br)cnc23)ccc1F |r| Show InChI InChI=1S/C22H20BrFN6O3S/c1-30-21(25)29-22(7-2-3-17(22)34(30,32)33)15-10-14(4-5-16(15)24)28-20(31)19-18-12(6-8-26-19)9-13(23)11-27-18/h4-6,8-11,17H,2-3,7H2,1H3,(H2,25,29)(H,28,31)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human autoBACE2 using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured after 90 mins ...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50271165 (CHEMBL4128375) Show SMILES [H][C@@]12CCC[C@@]1(NC(=N)N(C)S2(=O)=O)c1cc(NC(=O)c2nccc3cc(Br)cnc23)ccc1F |r| Show InChI InChI=1S/C22H20BrFN6O3S/c1-30-21(25)29-22(7-2-3-17(22)34(30,32)33)15-10-14(4-5-16(15)24)28-20(31)19-18-12(6-8-26-19)9-13(23)11-27-18/h4-6,8-11,17H,2-3,7H2,1H3,(H2,25,29)(H,28,31)/t17-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Binding affinity to human BACE1 catalytic domain using QSY7-APPswe-Eu as substrate preincubated for 30 mins followed by substrate addition measured a...				ACS Med Chem Lett 8: 786-788 (2017) Article DOI: 10.1021/acsmedchemlett.7b00268 BindingDB Entry DOI: 10.7270/Q2K93B1Q
					More data for this Ligand-Target Pair