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BDBM50357023 CHEMBL1916647

SMILES: CC(C)[C@@H](N(CCCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO

InChI Key: InChIKey=BRECBJOQRORDAF-QWVACARCNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50357023   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50357023
PNG
(CHEMBL1916647)
Show SMILES CC(C)[C@@H](N(CCCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1/C24H28N2O4S/c1-18(2)23(24(27)25-28)26(16-8-11-19-9-4-3-5-10-19)31(29,30)22-15-14-20-12-6-7-13-21(20)17-22/h3-7,9-10,12-15,17-18,23,28H,8,11,16H2,1-2H3,(H,25,27)/t23-/s2
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 798n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 21: 6440-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.087
BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50357023
PNG
(CHEMBL1916647)
Show SMILES CC(C)[C@@H](N(CCCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1/C24H28N2O4S/c1-18(2)23(24(27)25-28)26(16-8-11-19-9-4-3-5-10-19)31(29,30)22-15-14-20-12-6-7-13-21(20)17-22/h3-7,9-10,12-15,17-18,23,28H,8,11,16H2,1-2H3,(H,25,27)/t23-/s2
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 21: 6440-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.087
BindingDB Entry DOI: 10.7270/Q2TQ61ZJ
More data for this
Ligand-Target Pair