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BDBM50233350 CHEMBL4096643

SMILES: [H][C@@]12NC(=N)N=C(N)N1CCC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O

InChI Key: InChIKey=HARWFBRXTCPOLU-LUKYLMHMSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50233350   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cathepsin K


(Homo sapiens (Human))		BDBM50233350
PNG
(CHEMBL4096643)
Show SMILES [H][C@@]12NC(=N)N=C(N)N1CCC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O |r,t:5|
Show InChI InChI=1S/C21H38N8O3/c1-11(2)9-15(24-13(5)30)18(31)26-16(10-12(3)4)19(32)25-14-7-6-8-29-17(14)27-20(22)28-21(29)23/h11-12,14-17H,6-10H2,1-5H3,(H,24,30)(H,25,32)(H,26,31)(H4,22,23,27,28)/t14-,15-,16-,17+/m0/s1
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Similars
PubMed
 4.40E+4n/an/an/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human cathepsin K expressed in Pichia pastoris using Z-FR-MCA as substrate by Dixon plot method

Bioorg Med Chem Lett 27: 1397-1400 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J26
More data for this
Ligand-Target Pair