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BDBM50063167 (R)-3-(1H-Indol-3-yl)-2-(4-phenylethynyl-benzenesulfonylamino)-propionic acid::CHEMBL157363

SMILES: OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1

InChI Key: InChIKey=OKLASKXZKFHVBH-XMMPIXPASA-N

Data: 2 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 = 50063167   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063167
PNG
((R)-3-(1H-Indol-3-yl)-2-(4-phenylethynyl-benzenesu...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C25H20N2O4S/c28-25(29)24(16-20-17-26-23-9-5-4-8-22(20)23)27-32(30,31)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18/h1-9,12-15,17,24,26-27H,16H2,(H,28,29)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase A (matrix metalloproteinase-2 MMP2)


J Med Chem 41: 640-9 (1998)


Article DOI: 10.1021/jm9707582
BindingDB Entry DOI: 10.7270/Q2HD7TS9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50063167
PNG
((R)-3-(1H-Indol-3-yl)-2-(4-phenylethynyl-benzenesu...)
Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C25H20N2O4S/c28-25(29)24(16-20-17-26-23-9-5-4-8-22(20)23)27-32(30,31)21-14-12-19(13-15-21)11-10-18-6-2-1-3-7-18/h1-9,12-15,17,24,26-27H,16H2,(H,28,29)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase B (Matrix metalloproteinase-9)


J Med Chem 41: 640-9 (1998)


Article DOI: 10.1021/jm9707582
BindingDB Entry DOI: 10.7270/Q2HD7TS9
More data for this
Ligand-Target Pair