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BDBM50357043 CHEMBL1916831

SMILES: CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2cc(OCC(C)C)ccc2c1

InChI Key: InChIKey=VIWOHIOPIHELRI-HSZRJFAPSA-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 = 50357043   
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))
BDBM50357043
PNG
(CHEMBL1916831)
Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2cc(OCC(C)C)ccc2c1
Show InChI InChI=1S/C24H36N2O5S/c1-16(2)11-12-26(23(18(5)6)24(27)25-28)32(29,30)22-10-8-19-13-21(31-15-17(3)4)9-7-20(19)14-22/h7-10,13-14,16-18,23,28H,11-12,15H2,1-6H3,(H,25,27)/t23-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 102n/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))
BDBM50357043
PNG
(CHEMBL1916831)
Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2cc(OCC(C)C)ccc2c1
Show InChI InChI=1S/C24H36N2O5S/c1-16(2)11-12-26(23(18(5)6)24(27)25-28)32(29,30)22-10-8-19-13-21(31-15-17(3)4)9-7-20(19)14-22/h7-10,13-14,16-18,23,28H,11-12,15H2,1-6H3,(H,25,27)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 13n/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