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BDBM50283700 (R)-N*1*-[(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butyl]-N*4*-hydroxy-2-isobutyl-succinamide::CHEMBL93890

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=HLSQLCOADIMQBK-QYZOEREBSA-N

Data: 3 KI

PDB links: 2 PDB IDs match this monomer.

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 3 hits for monomerid = 50283700   
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))
BDBM50283700
PNG
((R)-N*1*-[(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcar...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H36N4O5/c1-14(2)10-17(13-20(28)27-32)22(30)26-19(11-15(3)4)23(31)25-18(21(24)29)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,32H,10-13H2,1-4H3,(H2,24,29)(H,25,31)(H,26,30)(H,27,28)/t17-,18+,19+/m1/s1
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Article
33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the gelatinase-A enzyme.


Bioorg Med Chem Lett 4: 2741-2746 (1994)


Article DOI: 10.1016/S0960-894X(01)80587-4
BindingDB Entry DOI: 10.7270/Q2P84BT0
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50283700
PNG
((R)-N*1*-[(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcar...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H36N4O5/c1-14(2)10-17(13-20(28)27-32)22(30)26-19(11-15(3)4)23(31)25-18(21(24)29)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,32H,10-13H2,1-4H3,(H2,24,29)(H,25,31)(H,26,30)(H,27,28)/t17-,18+,19+/m1/s1
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Article
127n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the stromelysin enzyme.


Bioorg Med Chem Lett 4: 2741-2746 (1994)


Article DOI: 10.1016/S0960-894X(01)80587-4
BindingDB Entry DOI: 10.7270/Q2P84BT0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interstitial collagenase


(Homo sapiens (Human))
BDBM50283700
PNG
((R)-N*1*-[(S)-1-((S)-1-Carbamoyl-2-phenyl-ethylcar...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H36N4O5/c1-14(2)10-17(13-20(28)27-32)22(30)26-19(11-15(3)4)23(31)25-18(21(24)29)12-16-8-6-5-7-9-16/h5-9,14-15,17-19,32H,10-13H2,1-4H3,(H2,24,29)(H,25,31)(H,26,30)(H,27,28)/t17-,18+,19+/m1/s1
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Article
303n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the collagenase enzyme.


Bioorg Med Chem Lett 4: 2741-2746 (1994)


Article DOI: 10.1016/S0960-894X(01)80587-4
BindingDB Entry DOI: 10.7270/Q2P84BT0
More data for this
Ligand-Target Pair