BindingDB logo
myBDB logout

BDBM50227989 (6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperidine-1-carbonyl)-5-aza-spiro[2.5]octane-5-carboxylic acid methyl ester::CHEMBL442443

SMILES: COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(CC1)c1ccccc1)C(=O)NO

InChI Key: InChIKey=YQLRSUQLXQKLGB-ROUUACIJSA-N

Data: 3 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 3 hits for monomerid = 50227989   
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))
BDBM50227989
PNG
((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperidine-...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H29N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-6,16-18,29H,7-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to ADAM10


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227989
PNG
((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperidine-...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H29N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-6,16-18,29H,7-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 472n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50227989
PNG
((6S,7S)-7-hydroxycarbamoyl-6-(4-phenyl-piperidine-...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(CC1)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H29N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-6,16-18,29H,7-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 169n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay


Bioorg Med Chem Lett 18: 159-63 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.108
BindingDB Entry DOI: 10.7270/Q2GM8720
More data for this
Ligand-Target Pair