BDBM50358927 CHEMBL1923751

SMILES: c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=GXKGMHZDCDTBEX-UHFFFAOYSA-N

Data: 2 KI  2 IC50  2 EC50

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 6 hits for monomerid = 50358927   

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))	BDBM50358927 (CHEMBL1923751) Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	926	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))	BDBM50358927 (CHEMBL1923751) Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.78E+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))	BDBM50358927 (CHEMBL1923751) Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)	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	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 40) productio...				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))	BDBM50358927 (CHEMBL1923751) Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)	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	961	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 1 (Homo sapiens (Human))	BDBM50358927 (CHEMBL1923751) Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)	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	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a
University of Sharjah Curated by ChEMBL					Assay Description Inhibition of BACE1 in human H4 cells expressing APP Swedish K595N and M596L double mutant assessed as inhibition of amyloid beta (1 to 42) productio...				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))	BDBM50358927 (CHEMBL1923751) Show SMILES c1c(nc2ccccn12)-c1cccc(c1)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H14N4/c1-2-9-17-16(8-1)22-20(23-17)15-7-5-6-14(12-15)18-13-24-11-4-3-10-19(24)21-18/h1-13H,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+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