BDBM50212180 CHEMBL400530::N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide

SMILES: CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O

InChI Key: InChIKey=LLXSJJHSWWXYCR-GRKNLSHJSA-N

Data: 5 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 5 hits for monomerid = 50212180   

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))	BDBM50212180 (CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...) Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 17: 4057-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.072 BindingDB Entry DOI: 10.7270/Q2Q81CS4
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50212180 (CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...) Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cells				Bioorg Med Chem Lett 17: 4057-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.072 BindingDB Entry DOI: 10.7270/Q2Q81CS4
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50212180 (CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...) Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 17: 4057-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.072 BindingDB Entry DOI: 10.7270/Q2Q81CS4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50212180 (CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...) Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 17: 4057-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.072 BindingDB Entry DOI: 10.7270/Q2Q81CS4
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50212180 (CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...) Show SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O Show InChI InChI=1S/C31H37N3O5S/c1-4-15-34(40(3,37)38)27-18-24-17-26(19-27)29(35)33-28(25-11-6-5-7-12-25)14-13-22-9-8-10-23(16-22)20-31(2,32)30(36)39-21-24/h5-12,16-19,28H,4,13-15,20-21,32H2,1-3H3,(H,33,35)/t28-,31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE2				Bioorg Med Chem Lett 17: 4057-61 (2007) Article DOI: 10.1016/j.bmcl.2007.04.072 BindingDB Entry DOI: 10.7270/Q2Q81CS4
					More data for this Ligand-Target Pair