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SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)C=O

InChI Key: InChIKey=QJDVBNNDENLRSC-NHKCCNDQSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50484488   
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50484488
PNG
(CHEMBL1929015 | acs.jmedchem.1c00409_ST.720)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)C=O |r|
Show InChI InChI=1S/C28H49N5O7/c1-16(2)12-22(26(38)31-21(14-34)13-20-10-8-7-9-11-20)32-28(40)24(17(3)4)33-25(37)18(5)29-27(39)23(15-35)30-19(6)36/h14,16-18,20-24,35H,7-13,15H2,1-6H3,(H,29,39)(H,30,36)(H,31,38)(H,32,40)(H,33,37)/t18-,21-,22-,23-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a


TBA

Assay Description
This is a review article. Please point to the original journal.


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00409
BindingDB Entry DOI: 10.7270/Q2J1069F
More data for this
Ligand-Target Pair
Chymotrypsin-like protease CTRL-1


(Homo sapiens (Human))
BDBM50484488
PNG
(CHEMBL1929015 | acs.jmedchem.1c00409_ST.720)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)C=O |r|
Show InChI InChI=1S/C28H49N5O7/c1-16(2)12-22(26(38)31-21(14-34)13-20-10-8-7-9-11-20)32-28(40)24(17(3)4)33-25(37)18(5)29-27(39)23(15-35)30-19(6)36/h14,16-18,20-24,35H,7-13,15H2,1-6H3,(H,29,39)(H,30,36)(H,31,38)(H,32,40)(H,33,37)/t18-,21-,22-,23-,24-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+4n/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of chymotrypsin-like protease R188I mutant using peptide substrate SO1 preincubated for 20 mins before substrate addition and measured aft...


J Med Chem 54: 7962-73 (2011)


Article DOI: 10.1021/jm200870n
BindingDB Entry DOI: 10.7270/Q29G5QNB
More data for this
Ligand-Target Pair