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BDBM24036 (2R)-3-phenyl-2-[(4-phenylbenzene)sulfonamido]propanoic acid::CHEMBL49411::biphenylsulfonamide carboxylate, 13

SMILES: OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=JBYHBQIDTNHWJF-HXUWFJFHSA-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 = 24036   
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 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM24036
PNG
((2R)-3-phenyl-2-[(4-phenylbenzene)sulfonamido]prop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)/t20-/m1/s1
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Article
PubMed
n/an/a 4.30E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...


Bioorg Med Chem Lett 16: 311-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.001
BindingDB Entry DOI: 10.7270/Q2CJ8BS1
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM24036
PNG
((2R)-3-phenyl-2-[(4-phenylbenzene)sulfonamido]prop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)/t20-/m1/s1
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Article
PubMed
n/an/a 310n/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
Collagenase


(Homo sapiens (Human))
BDBM24036
PNG
((2R)-3-phenyl-2-[(4-phenylbenzene)sulfonamido]prop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)/t20-/m1/s1
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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloproteinase-9 (concentration required for 50% inhibition of enzyme activity)


J Med Chem 42: 1723-38 (1999)


Article DOI: 10.1021/jm980514x
BindingDB Entry DOI: 10.7270/Q2KP81BQ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM24036
PNG
((2R)-3-phenyl-2-[(4-phenylbenzene)sulfonamido]prop...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)/t20-/m1/s1
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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