BDBM50349207 CHEMBL1807703

SMILES: C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1

InChI Key: InChIKey=POPLFVJHDAWIDM-URVUXULASA-N

Data: 4 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 4 hits for monomerid = 50349207   

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
Cathepsin S (Homo sapiens (Human))	BDBM50349207 (CHEMBL1807703) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1 |r| Show InChI InChI=1S/C28H36N4O5/c1-19-11-12-20(23(33)18-32(19)27(36)21-9-4-7-15-29-21)30-25(34)22(17-28(2)13-5-3-6-14-28)31-26(35)24-10-8-16-37-24/h4,7-10,15-16,19-20,22H,3,5-6,11-14,17-18H2,1-2H3,(H,30,34)(H,31,35)/t19-,20+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 21: 4409-15 (2011) Article DOI: 10.1016/j.bmcl.2011.06.045 BindingDB Entry DOI: 10.7270/Q2TT4R90
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50349207 (CHEMBL1807703) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1 |r| Show InChI InChI=1S/C28H36N4O5/c1-19-11-12-20(23(33)18-32(19)27(36)21-9-4-7-15-29-21)30-25(34)22(17-28(2)13-5-3-6-14-28)31-26(35)24-10-8-16-37-24/h4,7-10,15-16,19-20,22H,3,5-6,11-14,17-18H2,1-2H3,(H,30,34)(H,31,35)/t19-,20+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human Raji cells assessed as decrease in cell surface expression of MHC class 2/CLIP by flow cytometric analysis				Bioorg Med Chem Lett 21: 4409-15 (2011) Article DOI: 10.1016/j.bmcl.2011.06.045 BindingDB Entry DOI: 10.7270/Q2TT4R90
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50349207 (CHEMBL1807703) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1 |r| Show InChI InChI=1S/C28H36N4O5/c1-19-11-12-20(23(33)18-32(19)27(36)21-9-4-7-15-29-21)30-25(34)22(17-28(2)13-5-3-6-14-28)31-26(35)24-10-8-16-37-24/h4,7-10,15-16,19-20,22H,3,5-6,11-14,17-18H2,1-2H3,(H,30,34)(H,31,35)/t19-,20+,22+/m1/s1	PDB MMDB 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	429	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L using Z-LR-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 21: 4409-15 (2011) Article DOI: 10.1016/j.bmcl.2011.06.045 BindingDB Entry DOI: 10.7270/Q2TT4R90
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50349207 (CHEMBL1807703) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1C(=O)c1ccccn1 |r| Show InChI InChI=1S/C28H36N4O5/c1-19-11-12-20(23(33)18-32(19)27(36)21-9-4-7-15-29-21)30-25(34)22(17-28(2)13-5-3-6-14-28)31-26(35)24-10-8-16-37-24/h4,7-10,15-16,19-20,22H,3,5-6,11-14,17-18H2,1-2H3,(H,30,34)(H,31,35)/t19-,20+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K using z-LR-AFC as substrate by fluorescence assay				Bioorg Med Chem Lett 21: 4409-15 (2011) Article DOI: 10.1016/j.bmcl.2011.06.045 BindingDB Entry DOI: 10.7270/Q2TT4R90
					More data for this Ligand-Target Pair