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BDBM50136251 (1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydroxyamide 2-[(4-pyridin-4-ylmethyl-phenyl)-amide]::CHEMBL336900

SMILES: ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1

InChI Key: InChIKey=VLXGWLLECQNRLI-IRXDYDNUSA-N

Data: 2 KI  1 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 = 50136251   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50136251
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O3/c23-18(16-2-1-3-17(16)19(24)22-25)21-15-6-4-13(5-7-15)12-14-8-10-20-11-9-14/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9(MMP-9)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50136251
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O3/c23-18(16-2-1-3-17(16)19(24)22-25)21-15-6-4-13(5-7-15)12-14-8-10-20-11-9-14/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1(MMP-1)


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50136251
PNG
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-hydro...)
Show SMILES ONC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C19H21N3O3/c23-18(16-2-1-3-17(16)19(24)22-25)21-15-6-4-13(5-7-15)12-14-8-10-20-11-9-14/h4-11,16-17,25H,1-3,12H2,(H,21,23)(H,22,24)/t16-,17-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 13: 4293-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.056
BindingDB Entry DOI: 10.7270/Q2T72GV7
More data for this
Ligand-Target Pair