BDBM50352863 CHEMBL1824141

SMILES: CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1

InChI Key: InChIKey=CRGYAUNBGVFARQ-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 50352863   

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))	BDBM50352863 (CHEMBL1824141) Show SMILES CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50352863 (CHEMBL1824141) Show SMILES CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin D by FRET assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50352863 (CHEMBL1824141) Show SMILES CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE2 by FRET assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50352863 (CHEMBL1824141) Show SMILES CCCCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1 |t:11| Show InChI InChI=1S/C21H23N7O/c1-3-4-8-28-13-18(12-25-28)21(19(29)27(2)20(22)26-21)17-7-5-6-15(9-17)16-10-23-14-24-11-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1 by FRET assay				Bioorg Med Chem Lett 21: 5164-70 (2011) Article DOI: 10.1016/j.bmcl.2011.07.057 BindingDB Entry DOI: 10.7270/Q2WQ045T
					More data for this Ligand-Target Pair