BDBM50318133 (14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17,20-tetraazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1095431

SMILES: NC1=Nc2cnc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4

InChI Key: InChIKey=YEMBMUVUIMRSES-NDEPHWFRSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50318133   

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))	BDBM50318133 ((14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17,2...) Show SMILES NC1=Nc2cnc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1| Show InChI InChI=1S/C31H41N5O2/c32-31-34-27-20-33-29-19-24(27)21-36(31)28(23-9-3-1-4-10-23)14-15-30(37)35(25-11-5-2-6-12-25)17-16-22-8-7-13-26(18-22)38-29/h7-8,13,18-20,23,25,28H,1-6,9-12,14-17,21H2,(H2,32,34)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 20: 3158-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.097 BindingDB Entry DOI: 10.7270/Q2C53M1S
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50318133 ((14S)-16-amino-10,14-dicyclohexyl-2-oxa-10,15,17,2...) Show SMILES NC1=Nc2cnc3Oc4cccc(CCN(C5CCCCC5)C(=O)CC[C@@H](C5CCCCC5)N1Cc2c3)c4 |r,t:1| Show InChI InChI=1S/C31H41N5O2/c32-31-34-27-20-33-29-19-24(27)21-36(31)28(23-9-3-1-4-10-23)14-15-30(37)35(25-11-5-2-6-12-25)17-16-22-8-7-13-26(18-22)38-29/h7-8,13,18-20,23,25,28H,1-6,9-12,14-17,21H2,(H2,32,34)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of BACE1 assessed as amyloid beta (1-40) production				Bioorg Med Chem Lett 20: 3158-60 (2010) Article DOI: 10.1016/j.bmcl.2010.03.097 BindingDB Entry DOI: 10.7270/Q2C53M1S
					More data for this Ligand-Target Pair