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SMILES: CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)CCc1ccccc1)C(=O)Nc1ccccc1

InChI Key: InChIKey=HQKHAIXFILRCNW-IRLDBZIGSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50289124   
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))
BDBM50289124
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)CCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O4/c1-18(2)17-22(25(31)26-21-11-7-4-8-12-21)27-24(30)20(15-16-23(28)29)14-13-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2)


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50289124
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)CCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O4/c1-18(2)17-22(25(31)26-21-11-7-4-8-12-21)27-24(30)20(15-16-23(28)29)14-13-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
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Article
5.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3).


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50289124
PNG
((R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCC(O)=O)CCc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H32N2O4/c1-18(2)17-22(25(31)26-21-11-7-4-8-12-21)27-24(30)20(15-16-23(28)29)14-13-19-9-5-3-6-10-19/h3-12,18,20,22H,13-17H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)/t20-,22+/m1/s1
PDB
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Article
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 6: 803-806 (1996)


Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH
More data for this
Ligand-Target Pair