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BDBM50343986 (2R,3R)-2,3-dihydroxy-4-oxo-4-((R)-2-phenylpyrrolidin-1-yl)-N-(4-(pyridin-3-yl)benzyl)butanamide::CHEMBL1779619

SMILES: O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1cccnc1

InChI Key: InChIKey=BJJLXZDUELMSPM-WXFUMESZSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343986   
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
ADAM17


(Homo sapiens (Human))
BDBM50343986
PNG
((2R,3R)-2,3-dihydroxy-4-oxo-4-((R)-2-phenylpyrroli...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1cccnc1 |r|
Show InChI InChI=1S/C26H27N3O4/c30-23(24(31)26(33)29-15-5-9-22(29)20-6-2-1-3-7-20)25(32)28-16-18-10-12-19(13-11-18)21-8-4-14-27-17-21/h1-4,6-8,10-14,17,22-24,30-31H,5,9,15-16H2,(H,28,32)/t22-,23-,24-/m1/s1
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PC cid
PC sid
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Article
PubMed
36n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 4812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK
More data for this
Ligand-Target Pair