BDBM50358938 CHEMBL1923707

SMILES: CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1

InChI Key: InChIKey=XFNVPLOSLDZYGA-UHFFFAOYSA-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 = 50358938   

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))	BDBM50358938 (CHEMBL1923707) Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1 Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-6-4-5-13-30(20)23)15-7-9-16(10-8-15)22-26-18-12-11-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.39E+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 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))	BDBM50358938 (CHEMBL1923707) Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1 Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-6-4-5-13-30(20)23)15-7-9-16(10-8-15)22-26-18-12-11-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.62E+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))	BDBM50358938 (CHEMBL1923707) Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1 Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-6-4-5-13-30(20)23)15-7-9-16(10-8-15)22-26-18-12-11-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)	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	2.48E+3	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))	BDBM50358938 (CHEMBL1923707) Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)-c1nc2ccc(F)cc2[nH]1 Show InChI InChI=1S/C24H22FN5/c1-24(2,3)29-23-21(28-20-6-4-5-13-30(20)23)15-7-9-16(10-8-15)22-26-18-12-11-17(25)14-19(18)27-22/h4-14,29H,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.73E+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