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SMILES: OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1

InChI Key: InChIKey=IPBPOBHSNJFRFT-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 50028939   
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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50028939
PNG
(CHEMBL1231240)
Show SMILES OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1 |r,c:15|
Show InChI InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24)
PDB
MMDB

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UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Universidad CEU San Pablo

Curated by ChEMBL


Assay Description
Inhibition of MMP8 (unknown origin)


J Med Chem 57: 10205-19 (2014)


Article DOI: 10.1021/jm500505f
BindingDB Entry DOI: 10.7270/Q2NK3GMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM50028939
PNG
(CHEMBL1231240)
Show SMILES OCCC1CCN(CC1)[C@@]1(C(=O)NC(O)=NC1=O)c1ccccc1 |r,c:15|
Show InChI InChI=1S/C17H21N3O4/c21-11-8-12-6-9-20(10-7-12)17(13-4-2-1-3-5-13)14(22)18-16(24)19-15(17)23/h1-5,12,21H,6-11H2,(H2,18,19,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Universidad CEU San Pablo

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


J Med Chem 57: 10205-19 (2014)


Article DOI: 10.1021/jm500505f
BindingDB Entry DOI: 10.7270/Q2NK3GMC
More data for this
Ligand-Target Pair