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BDBM50229640 (S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((4-o-tolyl-5,6-dihydropyridin-1(2H)-ylsulfonyl)methyl)piperidine-1-carboxylate::CHEMBL252023

SMILES: Cc1ccccc1C1=CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO

InChI Key: InChIKey=IMEFZFRDMGAZIZ-FQEVSTJZSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50229640   
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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50229640
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES Cc1ccccc1C1=CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO |t:8|
Show InChI InChI=1S/C24H33N3O7S/c1-18-4-2-3-5-21(18)19-6-11-27(12-7-19)35(31,32)17-24(22(28)25-30)9-13-26(14-10-24)23(29)34-20-8-15-33-16-20/h2-6,20,30H,7-17H2,1H3,(H,25,28)/t20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 133n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in human BT474 cells


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50229640
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES Cc1ccccc1C1=CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO |t:8|
Show InChI InChI=1S/C24H33N3O7S/c1-18-4-2-3-5-21(18)19-6-11-27(12-7-19)35(31,32)17-24(22(28)25-30)9-13-26(14-10-24)23(29)34-20-8-15-33-16-20/h2-6,20,30H,7-17H2,1H3,(H,25,28)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50229640
PNG
((S)-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((...)
Show SMILES Cc1ccccc1C1=CCN(CC1)S(=O)(=O)CC1(CCN(CC1)C(=O)O[C@H]1CCOC1)C(=O)NO |t:8|
Show InChI InChI=1S/C24H33N3O7S/c1-18-4-2-3-5-21(18)19-6-11-27(12-7-19)35(31,32)17-24(22(28)25-30)9-13-26(14-10-24)23(29)34-20-8-15-33-16-20/h2-6,20,30H,7-17H2,1H3,(H,25,28)/t20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Bioorg Med Chem Lett 18: 560-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.086
BindingDB Entry DOI: 10.7270/Q2CN73MJ
More data for this
Ligand-Target Pair