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BDBM50069218 (2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-2-methyl-succinamide::CHEMBL353382

SMILES: CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO

InChI Key: InChIKey=SRVJEHMEZKLIMK-TWOQFEAHSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50069218   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50069218
PNG
((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50069218
PNG
((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1
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<1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloprotease-9


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50069218
PNG
((2R,3R)-2,N*1*-Dihydroxy-3-isobutyl-N*4*-[(S)-2-(4...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C20H31N3O6/c1-12(2)10-15(20(3,27)19(26)23-28)17(24)22-16(18(25)21-4)11-13-6-8-14(29-5)9-7-13/h6-9,12,15-16,27-28H,10-11H2,1-5H3,(H,21,25)(H,22,24)(H,23,26)/t15-,16-,20+/m0/s1
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13n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity against human matrix metalloproteinase-3.


Bioorg Med Chem Lett 8: 837-42 (1999)


Article DOI: 10.1016/s0960-894x(98)00125-5
BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair