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BDBM50311080 (1S,2R)-1-(5-(4-chlorophenyl)thiophene-2-sulfonamido)-2-phenylcyclopropanecarboxylic acid::CHEMBL1078167::US10322143, Shiozaki Compound 5

SMILES: OC(=O)[C@@]1(C[C@@H]1c1ccccc1)NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1

InChI Key: InChIKey=LXKHVQYMYLBFCC-UZLBHIALSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50311080   
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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50311080
PNG
((1S,2R)-1-(5-(4-chlorophenyl)thiophene-2-sulfonami...)
Show SMILES OC(=O)[C@@]1(C[C@@H]1c1ccccc1)NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H16ClNO4S2/c21-15-8-6-14(7-9-15)17-10-11-18(27-17)28(25,26)22-20(19(23)24)12-16(20)13-4-2-1-3-5-13/h1-11,16,22H,12H2,(H,23,24)/t16-,20+/m1/s1
PDB
MMDB

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B.MOAD
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 600n/an/an/an/an/an/a



AstraZeneca



Assay Description
Protein concentrations were measured using the Micro BCA Protein Assay Kit (Pierce/Thermo Scientific, IL). Sample buffer was mixed with 5-25 μg ...


Bioorg Med Chem Lett 19: 4280-3 (2009)


BindingDB Entry DOI: 10.7270/Q2BC41VN
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50311080
PNG
((1S,2R)-1-(5-(4-chlorophenyl)thiophene-2-sulfonami...)
Show SMILES OC(=O)[C@@]1(C[C@@H]1c1ccccc1)NS(=O)(=O)c1ccc(s1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H16ClNO4S2/c21-15-8-6-14(7-9-15)17-10-11-18(27-17)28(25,26)22-20(19(23)24)12-16(20)13-4-2-1-3-5-13/h1-11,16,22H,12H2,(H,23,24)/t16-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 19: 6213-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.093
BindingDB Entry DOI: 10.7270/Q2ZS2WMT
More data for this
Ligand-Target Pair