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BDBM50073824 (4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-5,5,5-trifluoro-pentyl]-phosphinic acid::CHEMBL24573

SMILES: CNC(=O)[C@H](NC(=O)C(CCC(F)(F)F)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C

InChI Key: InChIKey=IHXYDMMVEDLUPK-WCSIJFPASA-N

Data: 2 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 2 hits for monomerid = 50073824   
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))
BDBM50073824
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCC(F)(F)F)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H36F3N2O4P/c1-26(2,3)23(25(34)31-4)32-24(33)22(14-15-27(28,29)30)18-37(35,36)17-21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-13,22-23H,14-18H2,1-4H3,(H,31,34)(H,32,33)(H,35,36)/t22?,23-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 45n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50073824
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCC(F)(F)F)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C27H36F3N2O4P/c1-26(2,3)23(25(34)31-4)32-24(33)22(14-15-27(28,29)30)18-37(35,36)17-21-12-10-20(11-13-21)16-19-8-6-5-7-9-19/h5-13,22-23H,14-18H2,1-4H3,(H,31,34)(H,32,33)(H,35,36)/t22?,23-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair