BindingDB logo
myBDB logout

BDBM50295491 (S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophene-3-sulfonamido)-3-methylbutanoic Acid::CHEMBL562373

SMILES: COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=KRVMUJILUZQWCW-AGDOHHJYNA-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 = 50295491   
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 3


(Homo sapiens (Human))
BDBM50295491
PNG
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 632n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50295491
PNG
((S)-2-(7-(Methoxycarbonylamino)dibenzo[b,d]thiophe...)
Show SMILES COC(=O)Nc1ccc2c(c1)sc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1/C19H20N2O6S2/c1-10(2)17(18(22)23)21-29(25,26)12-5-7-14-13-6-4-11(20-19(24)27-3)8-15(13)28-16(14)9-12/h4-10,17,21H,1-3H3,(H,20,24)(H,22,23)/t17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair