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BDBM50290443 (R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)nonadecanoic acid::(R)-3-((S)-1-Methylcarbamoyl-2-phenyl-ethylcarbamoyl)-nonadecanoic acid::CHEMBL61538

SMILES: CCCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC

InChI Key: InChIKey=FLPUCLSORYCSPS-SXOMAYOGSA-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 = 50290443   
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))
BDBM50290443
PNG
((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...)
Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C30H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(24-28(33)34)29(35)32-27(30(36)31-2)23-25-20-17-16-18-21-25/h16-18,20-21,26-27H,3-15,19,22-24H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t26-,27+/m1/s1
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Article
n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration for 50% inhibition of human recombinant gelatinase A (MMP-2).


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50290443
PNG
((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...)
Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C30H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(24-28(33)34)29(35)32-27(30(36)31-2)23-25-20-17-16-18-21-25/h16-18,20-21,26-27H,3-15,19,22-24H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t26-,27+/m1/s1
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PubMed
n/an/a 50n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50290443
PNG
((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...)
Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C30H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(24-28(33)34)29(35)32-27(30(36)31-2)23-25-20-17-16-18-21-25/h16-18,20-21,26-27H,3-15,19,22-24H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t26-,27+/m1/s1
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Article
n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibition of human recombinant fibroblast collagenase (MMP-1, HFC)


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50290443
PNG
((R)-3-(((S)-1-(methylamino)-1-oxo-3-phenylpropan-2...)
Show SMILES CCCCCCCCCCCCCCCC[C@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC
Show InChI InChI=1S/C30H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(24-28(33)34)29(35)32-27(30(36)31-2)23-25-20-17-16-18-21-25/h16-18,20-21,26-27H,3-15,19,22-24H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t26-,27+/m1/s1
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Article
n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibition of human recombinant stromelysin (MMP-3, HFS)


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair