BDBM50318132 (14S)-16-amino-10,14-dicyclohexyl-20-methoxy-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one::CHEMBL1095430

SMILES: COc1cc2N=C(N)N3Cc2cc1Oc1cccc(CCN(C2CCCCC2)C(=O)CC[C@H]3C2CCCCC2)c1

InChI Key: InChIKey=XGXJBGSGDARAGO-LJAQVGFWSA-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 = 50318132   

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))	BDBM50318132 ((14S)-16-amino-10,14-dicyclohexyl-20-methoxy-2-oxa...) Show SMILES COc1cc2N=C(N)N3Cc2cc1Oc1cccc(CCN(C2CCCCC2)C(=O)CC[C@H]3C2CCCCC2)c1 |r,t:5| Show InChI InChI=1S/C33H44N4O3/c1-39-30-21-28-25-20-31(30)40-27-14-8-9-23(19-27)17-18-36(26-12-6-3-7-13-26)32(38)16-15-29(24-10-4-2-5-11-24)37(22-25)33(34)35-28/h8-9,14,19-21,24,26,29H,2-7,10-13,15-18,22H2,1H3,(H2,34,35)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50318132 ((14S)-16-amino-10,14-dicyclohexyl-20-methoxy-2-oxa...) Show SMILES COc1cc2N=C(N)N3Cc2cc1Oc1cccc(CCN(C2CCCCC2)C(=O)CC[C@H]3C2CCCCC2)c1 |r,t:5| Show InChI InChI=1S/C33H44N4O3/c1-39-30-21-28-25-20-31(30)40-27-14-8-9-23(19-27)17-18-36(26-12-6-3-7-13-26)32(38)16-15-29(24-10-4-2-5-11-24)37(22-25)33(34)35-28/h8-9,14,19-21,24,26,29H,2-7,10-13,15-18,22H2,1H3,(H2,34,35)/t29-/m0/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	36	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