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SMILES: CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(F)cc1)CC(=O)NO)C(C)(C)C

InChI Key: InChIKey=LNSULHYVZXTWFG-RDTXWAMCSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50031776   
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))
BDBM50031776
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(F)cc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C21H32FN3O5/c1-21(2,3)18(20(28)23-4)24-19(27)14(13-17(26)25-29)7-5-6-12-30-16-10-8-15(22)9-11-16/h8-11,14,18,29H,5-7,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t14-,18-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
11n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human fibroblast collagenase, MMP-1


J Med Chem 38: 2570-81 (1995)


BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50031776
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(F)cc1)CC(=O)NO)C(C)(C)C
Show InChI InChI=1S/C21H32FN3O5/c1-21(2,3)18(20(28)23-4)24-19(27)14(13-17(26)25-29)7-5-6-12-30-16-10-8-15(22)9-11-16/h8-11,14,18,29H,5-7,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,26)/t14-,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
38n/an/an/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
Inhibitory potency against human stromelysin, MMP-3


J Med Chem 38: 2570-81 (1995)


BindingDB Entry DOI: 10.7270/Q2GM86B5
More data for this
Ligand-Target Pair