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BDBM50101734 (1,4-Dioxa-spiro[4.5]dec-7-yl)-((R)-4'-methoxy-biphenyl-4-sulfonylamino)-acetic acid::(1,4-Dioxa-spiro[4.5]dec-7-yl)-((S)-4'-methoxy-biphenyl-4-sulfonylamino)-acetic acid::CHEMBL432871

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H]([C@@H]1CCCC2(C1)OCCO2)C(O)=O

InChI Key: InChIKey=KVNBSMBKXVJFRN-NQIIRXRSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50101734   
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
Collagenase 3


(Homo sapiens (Human))		BDBM50101734
PNG
((1,4-Dioxa-spiro[4.5]dec-7-yl)-((R)-4'-methoxy-bip...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H]([C@@H]1CCCC2(C1)OCCO2)C(O)=O
Show InChI InChI=1S/C23H27NO7S/c1-29-19-8-4-16(5-9-19)17-6-10-20(11-7-17)32(27,28)24-21(22(25)26)18-3-2-12-23(15-18)30-13-14-31-23/h4-11,18,21,24H,2-3,12-15H2,1H3,(H,25,26)/t18-,21+/m1/s1
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Similars
PubMed
n/an/a 13n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13

Bioorg Med Chem Lett 11: 1975-9 (2001)


BindingDB Entry DOI: 10.7270/Q2S181SV
More data for this
Ligand-Target Pair