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BDBM50301122 (2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-((R)-3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide::CHEMBL567939

SMILES: CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1

InChI Key: InChIKey=OKGOBXODUWTHAJ-RNLLHNEJSA-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 = 50301122   
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))
BDBM50301122
PNG
((2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-((R)...)
Show SMILES CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C22H32N4O4/c1-14(2)21(28)25(3)17-11-18(20(27)24-30)19(23-12-17)22(29)26-10-9-16(13-26)15-7-5-4-6-8-15/h4-8,14,16-19,23,30H,9-13H2,1-3H3,(H,24,27)/t16-,17?,18-,19-/m0/s1
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n/an/a 502n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of MMP-2


Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50301122
PNG
((2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-((R)...)
Show SMILES CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C22H32N4O4/c1-14(2)21(28)25(3)17-11-18(20(27)24-30)19(23-12-17)22(29)26-10-9-16(13-26)15-7-5-4-6-8-15/h4-8,14,16-19,23,30H,9-13H2,1-3H3,(H,24,27)/t16-,17?,18-,19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10


Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50301122
PNG
((2S,3S)-N-hydroxy-5-(N-methylisobutyramido)-2-((R)...)
Show SMILES CC(C)C(=O)N(C)C1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CC[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C22H32N4O4/c1-14(2)21(28)25(3)17-11-18(20(27)24-30)19(23-12-17)22(29)26-10-9-16(13-26)15-7-5-4-6-8-15/h4-8,14,16-19,23,30H,9-13H2,1-3H3,(H,24,27)/t16-,17?,18-,19-/m0/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 52n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of HER-2


Bioorg Med Chem Lett 19: 5037-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.052
BindingDB Entry DOI: 10.7270/Q2154J0S
More data for this
Ligand-Target Pair