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BDBM50269056 (1S,2S,5RS)-N-hydroxy-5-(2-((R)-3-hydroxypyrrolidin-1-yl)-2-oxoethyl)-2-(4-phenylpiperazine-1-carbonyl)cyclohexanecarboxamide::CHEMBL497032

SMILES: ONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=FXUWJFZELUGOAQ-YPHDSLMMSA-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 = 50269056   
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))
BDBM50269056
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-((R)-3-hydroxypyrrolidi...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-19-8-9-28(16-19)22(30)15-17-6-7-20(21(14-17)23(31)25-33)24(32)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-5,17,19-21,29,33H,6-16H2,(H,25,31)/t17?,19-,20+,21+/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human MMP2


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50269056
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-((R)-3-hydroxypyrrolidi...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-19-8-9-28(16-19)22(30)15-17-6-7-20(21(14-17)23(31)25-33)24(32)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-5,17,19-21,29,33H,6-16H2,(H,25,31)/t17?,19-,20+,21+/m1/s1
PDB

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B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM10


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50269056
PNG
((1S,2S,5RS)-N-hydroxy-5-(2-((R)-3-hydroxypyrrolidi...)
Show SMILES ONC(=O)[C@H]1CC(CC(=O)N2CC[C@@H](O)C2)CC[C@@H]1C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C24H34N4O5/c29-19-8-9-28(16-19)22(30)15-17-6-7-20(21(14-17)23(31)25-33)24(32)27-12-10-26(11-13-27)18-4-2-1-3-5-18/h1-5,17,19-21,29,33H,6-16H2,(H,25,31)/t17?,19-,20+,21+/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 226n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER2 extracellular domain sheddase activity in human BT474 cells after 72 hrs by ELISA


Bioorg Med Chem Lett 19: 3525-30 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.143
BindingDB Entry DOI: 10.7270/Q2ST7PRT
More data for this
Ligand-Target Pair