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BDBM50341797 (1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole-2-sulfonylamino)-2-methyl-3-phenylcyclopropanecarboxylic Acid::CHEMBL1766919

SMILES: C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)cc1cc(Cl)ccc21)C(O)=O

InChI Key: InChIKey=NVERRANKYVTEPN-ZFGLAFRWSA-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 = 50341797   
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))
BDBM50341797
PNG
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrazino[...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)cc1cc(Cl)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H22ClN3O4S/c1-14-20(15-5-3-2-4-6-15)22(14,21(27)28)24-31(29,30)25-9-10-26-18(13-25)12-16-11-17(23)7-8-19(16)26/h2-8,11-12,14,20,24H,9-10,13H2,1H3,(H,27,28)/t14-,20-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 420n/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))
BDBM50341797
PNG
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrazino[...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)cc1cc(Cl)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H22ClN3O4S/c1-14-20(15-5-3-2-4-6-15)22(14,21(27)28)24-31(29,30)25-9-10-26-18(13-25)12-16-11-17(23)7-8-19(16)26/h2-8,11-12,14,20,24H,9-10,13H2,1H3,(H,27,28)/t14-,20-,22+/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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))
BDBM50341797
PNG
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrazino[...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)cc1cc(Cl)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H22ClN3O4S/c1-14-20(15-5-3-2-4-6-15)22(14,21(27)28)24-31(29,30)25-9-10-26-18(13-25)12-16-11-17(23)7-8-19(16)26/h2-8,11-12,14,20,24H,9-10,13H2,1H3,(H,27,28)/t14-,20-,22+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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))
BDBM50341797
PNG
((1S,2R,3R)-1-(8-Chloro-1,2,3,4-tetrahydropyrazino[...)
Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)cc1cc(Cl)ccc21)C(O)=O |r|
Show InChI InChI=1S/C22H22ClN3O4S/c1-14-20(15-5-3-2-4-6-15)22(14,21(27)28)24-31(29,30)25-9-10-26-18(13-25)12-16-11-17(23)7-8-19(16)26/h2-8,11-12,14,20,24H,9-10,13H2,1H3,(H,27,28)/t14-,20-,22+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/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