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BDBM50350607 CHEMBL1812925

SMILES: CN1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=KTLLOXQGVQXBSF-UHFFFAOYSA-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 = 50350607   
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
Collagenase


(Homo sapiens (Human))
BDBM50350607
PNG
(CHEMBL1812925)
Show SMILES CN1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H24N4O4/c1-25-12-5-13-26(15-14-25)22(19(27)23-21(29)24-20(22)28)16-8-10-18(11-9-16)30-17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3,(H2,23,24,27,28,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of AMPA-activated human recombinant MMP2 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...


Bioorg Med Chem 19: 4985-99 (2011)


Article DOI: 10.1016/j.bmc.2011.06.055
BindingDB Entry DOI: 10.7270/Q2RJ4JV9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50350607
PNG
(CHEMBL1812925)
Show SMILES CN1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H24N4O4/c1-25-12-5-13-26(15-14-25)22(19(27)23-21(29)24-20(22)28)16-8-10-18(11-9-16)30-17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3,(H2,23,24,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of AMPA-activated human recombinant MMP9 using fluorogenic substrate (7-methoxycoumarin-4-yl)-acetyl-pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl...


Bioorg Med Chem 19: 4985-99 (2011)


Article DOI: 10.1016/j.bmc.2011.06.055
BindingDB Entry DOI: 10.7270/Q2RJ4JV9
More data for this
Ligand-Target Pair