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BDBM28337 (1R,2S)-1-{[4-(4-chlorophenyl)benzene]({2-[4-(methoxycarbonyl)-1H-imidazol-1-yl]ethyl})sulfonamido}-2-phenylcyclopropane-1-carboxylic acid::CHEMBL448604::US10322143, Shiozaki Compound 1::sulfonylamino-alkanecarboxylate, 51

SMILES: COC(=O)c1cn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cn1

InChI Key: InChIKey=CSUSVRGINZAUKG-ABYGYWHVSA-N

Data: 3 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 3 hits for monomerid = 28337   
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
ADAMTS-5 (Aggrecanase-2)


(Homo sapiens (Human))
BDBM28337
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene]({2-[4-(meth...)
Show SMILES COC(=O)c1cn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cn1 |r|
Show InChI InChI=1S/C29H26ClN3O6S/c1-39-27(34)26-18-32(19-31-26)15-16-33(29(28(35)36)17-25(29)22-5-3-2-4-6-22)40(37,38)24-13-9-21(10-14-24)20-7-11-23(30)12-8-20/h2-14,18-19,25H,15-17H2,1H3,(H,35,36)/t25-,29+/m0/s1
PDB
MMDB

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Japan Tobacco Inc.



Assay Description
The ADAMTS-5 (Aggrecanase-2) assay was performed using fluorescent peptide substrate WAAG-3R and the recombinant Agg-2 pre-incubated with various con...


Bioorg Med Chem Lett 19: 1575-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.024
BindingDB Entry DOI: 10.7270/Q2PV6HPW
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM28337
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene]({2-[4-(meth...)
Show SMILES COC(=O)c1cn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cn1 |r|
Show InChI InChI=1S/C29H26ClN3O6S/c1-39-27(34)26-18-32(19-31-26)15-16-33(29(28(35)36)17-25(29)22-5-3-2-4-6-22)40(37,38)24-13-9-21(10-14-24)20-7-11-23(30)12-8-20/h2-14,18-19,25H,15-17H2,1H3,(H,35,36)/t25-,29+/m0/s1
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UniProtKB/SwissProt

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antibodypedia
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US Patent
n/an/a 73n/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))
BDBM28337
PNG
((1R,2S)-1-{[4-(4-chlorophenyl)benzene]({2-[4-(meth...)
Show SMILES COC(=O)c1cn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cn1 |r|
Show InChI InChI=1S/C29H26ClN3O6S/c1-39-27(34)26-18-32(19-31-26)15-16-33(29(28(35)36)17-25(29)22-5-3-2-4-6-22)40(37,38)24-13-9-21(10-14-24)20-7-11-23(30)12-8-20/h2-14,18-19,25H,15-17H2,1H3,(H,35,36)/t25-,29+/m0/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 73n/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