BDBM50201795 CHEMBL3972383

SMILES: CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1CCCN(C(N)=N)C1=O

InChI Key: InChIKey=CYFBJJFPNDZZSI-GFDAQUBOSA-N

Data: 1 KI

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 1 hit for monomerid = 50201795   

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 K (Homo sapiens (Human))	BDBM50201795 (CHEMBL3972383) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)NC1CCCN(C(N)=N)C1=O |r| Show InChI InChI=1S/C27H42N10O6/c1-15(2)20(22(39)33-18-11-7-13-37(23(18)40)26(30)31)36-21(38)17(10-6-12-32-25(28)29)34-27(43)35-19(24(41)42)14-16-8-4-3-5-9-16/h3-5,8-9,15,17-20H,6-7,10-14H2,1-2H3,(H3,30,31)(H,33,39)(H,36,38)(H,41,42)(H4,28,29,32)(H2,34,35,43)/t17-,18?,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant cathepsin K using Z-FR-MCA fluorogenic substrate by Dixon plot analysis				J Nat Prod 79: 1962-70 (2016) Article DOI: 10.1021/acs.jnatprod.6b00215 BindingDB Entry DOI: 10.7270/Q2F76FHF
					More data for this Ligand-Target Pair