BindingDB logo
myBDB logout

BDBM50096396 CHEMBL292937::Quinoline-2-carboxylic acid [(S)-3-methyl-1-((S)-4-oxo-tetrahydro-furan-3-ylcarbamoyl)-butyl]-amide

SMILES: CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1COCC1=O

InChI Key: InChIKey=RETZIRPJWJFESI-IRXDYDNUSA-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 = 50096396   
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))
BDBM50096396
PNG
(CHEMBL292937 | Quinoline-2-carboxylic acid [(S)-3-...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@H]1COCC1=O
Show InChI InChI=1S/C20H23N3O4/c1-12(2)9-16(20(26)23-17-10-27-11-18(17)24)22-19(25)15-8-7-13-5-3-4-6-14(13)21-15/h3-8,12,16-17H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K


Bioorg Med Chem Lett 11: 199-202 (2001)


Article DOI: 10.1016/s0960-894x(00)00627-2
BindingDB Entry DOI: 10.7270/Q2TX3DMJ
More data for this
Ligand-Target Pair