BindingDB logo
myBDB logout

null

SMILES: CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)N(O)C=O)C1=O

InChI Key: InChIKey=BYBOLCACCXBYNF-UHFFFAOYSA-N

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 = 50108144   
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))
BDBM50108144
PNG
(CHEMBL75154 | N-[1-(4,4-Dimethyl-2,5-dioxo-imidazo...)
Show SMILES CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22F3N3O6S/c1-21(2)19(30)27(20(31)26-21)11-17(28(32)13-29)12-35(33,34)18-9-5-15(6-10-18)14-3-7-16(8-4-14)22(23,24)25/h3-10,13,17,32H,11-12H2,1-2H3,(H,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against Matrix metalloprotease-9 (MMP-9) using fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50108144
PNG
(CHEMBL75154 | N-[1-(4,4-Dimethyl-2,5-dioxo-imidazo...)
Show SMILES CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22F3N3O6S/c1-21(2)19(30)27(20(31)26-21)11-17(28(32)13-29)12-35(33,34)18-9-5-15(6-10-18)14-3-7-16(8-4-14)22(23,24)25/h3-10,13,17,32H,11-12H2,1-2H3,(H,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-1 (MMP-1) using a fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50108144
PNG
(CHEMBL75154 | N-[1-(4,4-Dimethyl-2,5-dioxo-imidazo...)
Show SMILES CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22F3N3O6S/c1-21(2)19(30)27(20(31)26-21)11-17(28(32)13-29)12-35(33,34)18-9-5-15(6-10-18)14-3-7-16(8-4-14)22(23,24)25/h3-10,13,17,32H,11-12H2,1-2H3,(H,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 0.450n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro selective inhibition against matrix metalloprotease-2 (MMP-2) using fluorimetric assay


J Med Chem 45: 219-32 (2001)


BindingDB Entry DOI: 10.7270/Q2XP747B
More data for this
Ligand-Target Pair