BDBM50270764 CHEMBL4127986

SMILES: COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N

InChI Key: InChIKey=IAPXUEFUMWXOGE-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50270764   

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))	BDBM50270764 (CHEMBL4127986) Show SMILES COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H16N6O5S2/c1-34-17-8-3-2-7-14(17)18-15(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-16(11-35-22)12-5-4-6-13(9-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Binding affinity to BACE1 (unknown origin) by SPR method				Eur J Med Chem 137: 462-475 (2017) Article DOI: 10.1016/j.ejmech.2017.06.020 BindingDB Entry DOI: 10.7270/Q2M90C53
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50270764 (CHEMBL4127986) Show SMILES COc1ccccc1-c1nc(SC(C(N)=O)c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)[nH]c(=O)c1C#N Show InChI InChI=1S/C23H16N6O5S2/c1-34-17-8-3-2-7-14(17)18-15(10-24)21(31)28-23(27-18)36-19(20(25)30)22-26-16(11-35-22)12-5-4-6-13(9-12)29(32)33/h2-9,11,19H,1H3,(H2,25,30)(H,27,28,31)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using Rh-EVNLDAEFK-Quencher as substrate after 60 mins by FRET assay				Eur J Med Chem 137: 462-475 (2017) Article DOI: 10.1016/j.ejmech.2017.06.020 BindingDB Entry DOI: 10.7270/Q2M90C53
					More data for this Ligand-Target Pair