BDBM50358936 CHEMBL1923705

SMILES: C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1

InChI Key: InChIKey=CIWFAULALHGEOR-KRWDZBQOSA-N

Data: 2 KI  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 4 hits for monomerid = 50358936   

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))	BDBM50358936 (CHEMBL1923705) Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation				J Med Chem 54: 8373-85 (2011) Checked by Author Article DOI: 10.1021/jm201181f BindingDB Entry DOI: 10.7270/Q279453T
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50358936 (CHEMBL1923705) Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by Michaelis menton equation				J Med Chem 54: 8373-85 (2011) Checked by Author Article DOI: 10.1021/jm201181f BindingDB Entry DOI: 10.7270/Q279453T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50358936 (CHEMBL1923705) Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of BACE1 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis				J Med Chem 54: 8373-85 (2011) Checked by Author Article DOI: 10.1021/jm201181f BindingDB Entry DOI: 10.7270/Q279453T
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50358936 (CHEMBL1923705) Show SMILES C[C@H](NC(=O)c1cc(cc(c1)-c1nc(c[nH]1)-c1cccc(F)c1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C26H25FN4O3S/c1-17(18-8-5-4-6-9-18)29-26(32)21-12-20(14-23(15-21)31(2)35(3,33)34)25-28-16-24(30-25)19-10-7-11-22(27)13-19/h4-17H,1-3H3,(H,28,30)(H,29,32)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of BACE2 expressing APP Swedish mutant using rhodamine-labeled EVNLDAEFK-quencher as substrate after 60 mins by FRET analysis				J Med Chem 54: 8373-85 (2011) Checked by Author Article DOI: 10.1021/jm201181f BindingDB Entry DOI: 10.7270/Q279453T
					More data for this Ligand-Target Pair