BDBM50333949 (S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-4-(3-methoxy-propyl)-2,15-dioxo-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-N-isobutyl-3-methyl-butyramide::CHEMBL1644467

SMILES: COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O

InChI Key: InChIKey=FUEBVLZNNDKTAY-IPDPXPSLSA-N

Data: 2 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 3 hits for monomerid = 50333949   

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
Renin (Homo sapiens (Human))	BDBM50333949 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C35H52N4O8S/c1-22(2)19-36-35(43)29(23(3)4)18-32(40)31-21-47-20-24-10-8-11-25(14-24)30(12-9-13-46-6)37-33(41)26-15-27(34(42)38-31)17-28(16-26)39(5)48(7,44)45/h8,10-11,14-17,22-23,29-32,40H,9,12-13,18-21H2,1-7H3,(H,36,43)(H,37,41)(H,38,42)/t29-,30?,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of renin				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50333949 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C35H52N4O8S/c1-22(2)19-36-35(43)29(23(3)4)18-32(40)31-21-47-20-24-10-8-11-25(14-24)30(12-9-13-46-6)37-33(41)26-15-27(34(42)38-31)17-28(16-26)39(5)48(7,44)45/h8,10-11,14-17,22-23,29-32,40H,9,12-13,18-21H2,1-7H3,(H,36,43)(H,37,41)(H,38,42)/t29-,30?,31-,32-/m0/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	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50333949 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES COCCCC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C35H52N4O8S/c1-22(2)19-36-35(43)29(23(3)4)18-32(40)31-21-47-20-24-10-8-11-25(14-24)30(12-9-13-46-6)37-33(41)26-15-27(34(42)38-31)17-28(16-26)39(5)48(7,44)45/h8,10-11,14-17,22-23,29-32,40H,9,12-13,18-21H2,1-7H3,(H,36,43)(H,37,41)(H,38,42)/t29-,30?,31-,32-/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
					More data for this Ligand-Target Pair