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BDBM50062319 (R)-N*4*-Hydroxy-N*1*-{(R)-1-[2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-naphthalen-2-yl-ethyl}-2-isobutyl-succinamide::CHEMBL308397

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1

InChI Key: InChIKey=BAIUIZQDBMFOMK-AOYPEHQESA-N

Data: 3 KI

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 = 50062319   
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


(Homo sapiens (Human))
BDBM50062319
PNG
((R)-N*4*-Hydroxy-N*1*-{(R)-1-[2-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C29H35N3O5/c1-19(2)15-24(18-27(34)32-37)28(35)31-26(17-21-7-10-22-5-3-4-6-23(22)16-21)29(36)30-14-13-20-8-11-25(33)12-9-20/h3-12,16,19,24,26,33,37H,13-15,17-18H2,1-2H3,(H,30,36)(H,31,35)(H,32,34)/t24-,26-/m1/s1
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PC cid
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Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50062319
PNG
((R)-N*4*-Hydroxy-N*1*-{(R)-1-[2-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C29H35N3O5/c1-19(2)15-24(18-27(34)32-37)28(35)31-26(17-21-7-10-22-5-3-4-6-23(22)16-21)29(36)30-14-13-20-8-11-25(33)12-9-20/h3-12,16,19,24,26,33,37H,13-15,17-18H2,1-2H3,(H,30,36)(H,31,35)(H,32,34)/t24-,26-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50062319
PNG
((R)-N*4*-Hydroxy-N*1*-{(R)-1-[2-(4-hydroxy-phenyl)...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C29H35N3O5/c1-19(2)15-24(18-27(34)32-37)28(35)31-26(17-21-7-10-22-5-3-4-6-23(22)16-21)29(36)30-14-13-20-8-11-25(33)12-9-20/h3-12,16,19,24,26,33,37H,13-15,17-18H2,1-2H3,(H,30,36)(H,31,35)(H,32,34)/t24-,26-/m1/s1
PDB
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PC cid
PC sid
UniChem

Similars

Article
PubMed
8.10n/an/an/an/an/an/an/an/a



Glycomed, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)


J Med Chem 41: 199-223 (1998)


Article DOI: 10.1021/jm970494j
BindingDB Entry DOI: 10.7270/Q2Q52NRB
More data for this
Ligand-Target Pair