BDBM50400217 CHEMBL2181019

SMILES: CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1

InChI Key: InChIKey=GJTOCPGDDLTBBD-LHRJYYJOSA-N

Data: 3 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 = 50400217   

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))	BDBM50400217 (CHEMBL2181019) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C51H72N8O10/c1-31(2)26-39(47(65)54-33(5)50(68)59(8)41(28-36-20-14-10-15-21-36)48(66)53-30-37-22-16-11-17-23-37)55-44(63)29-42(61)38(27-35-18-12-9-13-19-35)56-49(67)40(24-25-43(52)62)58(7)51(69)45(32(3)4)57-46(64)34(6)60/h9-23,31-34,38-42,45,60-61H,24-30H2,1-8H3,(H2,52,62)(H,53,66)(H,54,65)(H,55,63)(H,56,67)(H,57,64)/t33-,34-,38-,39-,40-,41+,42-,45-/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	124	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BACE1 by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50400217 (CHEMBL2181019) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C51H72N8O10/c1-31(2)26-39(47(65)54-33(5)50(68)59(8)41(28-36-20-14-10-15-21-36)48(66)53-30-37-22-16-11-17-23-37)55-44(63)29-42(61)38(27-35-18-12-9-13-19-35)56-49(67)40(24-25-43(52)62)58(7)51(69)45(32(3)4)57-46(64)34(6)60/h9-23,31-34,38-42,45,60-61H,24-30H2,1-8H3,(H2,52,62)(H,53,66)(H,54,65)(H,55,63)(H,56,67)(H,57,64)/t33-,34-,38-,39-,40-,41+,42-,45-/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	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin D by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50400217 (CHEMBL2181019) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C51H72N8O10/c1-31(2)26-39(47(65)54-33(5)50(68)59(8)41(28-36-20-14-10-15-21-36)48(66)53-30-37-22-16-11-17-23-37)55-44(63)29-42(61)38(27-35-18-12-9-13-19-35)56-49(67)40(24-25-43(52)62)58(7)51(69)45(32(3)4)57-46(64)34(6)60/h9-23,31-34,38-42,45,60-61H,24-30H2,1-8H3,(H2,52,62)(H,53,66)(H,54,65)(H,55,63)(H,56,67)(H,57,64)/t33-,34-,38-,39-,40-,41+,42-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin E by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
					More data for this Ligand-Target Pair