BindingDB logo
myBDB logout

BDBM11271 N-(4-chlorophenyl)-2-({4-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]pyrimidin-2-yl}sulfanyl)acetamide::pyrimidine-containing compound 8

SMILES: Clc1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccccc2Cl)cc1

InChI Key: InChIKey=UQVHELVNDYDRGX-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 11271   
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
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11271
PNG
(N-(4-chlorophenyl)-2-({4-[3-(2-chlorophenyl)-1,2-o...)
Show SMILES Clc1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H14Cl2N4O2S/c22-13-5-7-14(8-6-13)25-20(28)12-30-21-24-10-9-17(26-21)19-11-18(27-29-19)15-3-1-2-4-16(15)23/h1-11H,12H2,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 1.50E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11271
PNG
(N-(4-chlorophenyl)-2-({4-[3-(2-chlorophenyl)-1,2-o...)
Show SMILES Clc1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H14Cl2N4O2S/c22-13-5-7-14(8-6-13)25-20(28)12-30-21-24-10-9-17(26-21)19-11-18(27-29-19)15-3-1-2-4-16(15)23/h1-11H,12H2,(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/an/an/an/a7.025



National Tsing Hua University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 3485-95 (2006)


Article DOI: 10.1021/jm050852f
BindingDB Entry DOI: 10.7270/Q2R20ZKB
More data for this
Ligand-Target Pair