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BDBM50341823 (1S,2R,3R)-1-[4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine-1-sulfonylamino]-2-methyl-3-phenylcyclopropanecarboxylic Acid::CHEMBL1766907

SMILES: C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1)C(O)=O

InChI Key: InChIKey=XWUCDOCUSPAHFU-QPJICYPMSA-N

Data: 4 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 4 hits for monomerid = 50341823   
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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50341823
PNG
((1S,2R,3R)-1-[4-(4-Chlorophenyl)-1,2,3,6-tetrahydr...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1)C(O)=O |r,c:19|
Show InChI InChI=1S/C22H23ClN2O4S/c1-15-20(18-5-3-2-4-6-18)22(15,21(26)27)24-30(28,29)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h2-11,15,20,24H,12-14H2,1H3,(H,26,27)/t15-,20-,22+/m1/s1
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PC sid
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50341823
PNG
((1S,2R,3R)-1-[4-(4-Chlorophenyl)-1,2,3,6-tetrahydr...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1)C(O)=O |r,c:19|
Show InChI InChI=1S/C22H23ClN2O4S/c1-15-20(18-5-3-2-4-6-18)22(15,21(26)27)24-30(28,29)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h2-11,15,20,24H,12-14H2,1H3,(H,26,27)/t15-,20-,22+/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50341823
PNG
((1S,2R,3R)-1-[4-(4-Chlorophenyl)-1,2,3,6-tetrahydr...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1)C(O)=O |r,c:19|
Show InChI InChI=1S/C22H23ClN2O4S/c1-15-20(18-5-3-2-4-6-18)22(15,21(26)27)24-30(28,29)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h2-11,15,20,24H,12-14H2,1H3,(H,26,27)/t15-,20-,22+/m1/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50341823
PNG
((1S,2R,3R)-1-[4-(4-Chlorophenyl)-1,2,3,6-tetrahydr...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1)C(O)=O |r,c:19|
Show InChI InChI=1S/C22H23ClN2O4S/c1-15-20(18-5-3-2-4-6-18)22(15,21(26)27)24-30(28,29)25-13-11-17(12-14-25)16-7-9-19(23)10-8-16/h2-11,15,20,24H,12-14H2,1H3,(H,26,27)/t15-,20-,22+/m1/s1
PDB
MMDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader


J Med Chem 54: 2839-63 (2011)


Article DOI: 10.1021/jm101609j
BindingDB Entry DOI: 10.7270/Q2N87B3D
More data for this
Ligand-Target Pair