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BDBM50100914 CHEMBL42862::N-[1-(4'-Cyano-biphenyl-4-yloxymethyl)-3-methyl-butyl]-N-hydroxy-formamide

SMILES: CC(C)CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O

InChI Key: InChIKey=YGUKHRAGYHDVCC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50100914   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50100914
PNG
(CHEMBL42862 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC(C)CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C20H22N2O3/c1-15(2)11-19(22(24)14-23)13-25-20-9-7-18(8-10-20)17-5-3-16(12-21)4-6-17/h3-10,14-15,19,24H,11,13H2,1-2H3
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Article
PubMed
n/an/a 9.50E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50100914
PNG
(CHEMBL42862 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC(C)CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C20H22N2O3/c1-15(2)11-19(22(24)14-23)13-25-20-9-7-18(8-10-20)17-5-3-16(12-21)4-6-17/h3-10,14-15,19,24H,11,13H2,1-2H3
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PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50100914
PNG
(CHEMBL42862 | N-[1-(4'-Cyano-biphenyl-4-yloxymethy...)
Show SMILES CC(C)CC(COc1ccc(cc1)-c1ccc(cc1)C#N)N(O)C=O
Show InChI InChI=1S/C20H22N2O3/c1-15(2)11-19(22(24)14-23)13-25-20-9-7-18(8-10-20)17-5-3-16(12-21)4-6-17/h3-10,14-15,19,24H,11,13H2,1-2H3
PDB
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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 1553-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00031-2
BindingDB Entry DOI: 10.7270/Q2HQ3Z5G
More data for this
Ligand-Target Pair