BDBM136553 US8865701, 77::US9505739, 77

SMILES: Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC3(CC2c2ccccc2)C=Cc2ccccc32)n1

InChI Key: InChIKey=ZLADFTQKDXFOSW-CWFPHDOSSA-N

Data: 2 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 = 136553   

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))	BDBM136553 (US8865701, 77 | US9505739, 77) Show SMILES Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC3(CC2c2ccccc2)C=Cc2ccccc32)n1 |r,c:32| Show InChI InChI=1S/C32H32ClN3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2/t26-,28?,31?,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	6.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous end point electrochemiluminescence (ECL) assay is performed using a biotinylated BACE substrate. The Km of the substrate is approximate...				US Patent US9505739 (2016) BindingDB Entry DOI: 10.7270/Q2C53JST
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM136553 (US8865701, 77 | US9505739, 77) Show SMILES Clc1ccc2c(CCC[C@]22CNC[C@H]2C(=O)N2CCC3(CC2c2ccccc2)C=Cc2ccccc32)n1 |r,c:32| Show InChI InChI=1S/C32H32ClN3O/c33-29-13-12-25-27(35-29)11-6-15-32(25)21-34-20-26(32)30(37)36-18-17-31(16-14-22-7-4-5-10-24(22)31)19-28(36)23-8-2-1-3-9-23/h1-5,7-10,12-14,16,26,28,34H,6,11,15,17-21H2/t26-,28?,31?,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	6.5	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous end point electrochemiluminescence (ECL) assay is performed using a biotinylated BACE substrate. The Km of the substrate is approximate...				US Patent US8865701 (2014) BindingDB Entry DOI: 10.7270/Q2KP80V1
					More data for this Ligand-Target Pair