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BDBM50343978 (2R,3R)-N-(biphenyl-4-ylmethyl)-2,3-dihydroxy-4-oxo-4-((R)-2-phenylpyrrolidin-1-yl)butanamide::CHEMBL1779611

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

InChI Key: InChIKey=PSJYOQDMBWMKPS-UBFVSLLYSA-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 = 50343978   
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))
BDBM50343978
PNG
((2R,3R)-N-(biphenyl-4-ylmethyl)-2,3-dihydroxy-4-ox...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O4/c30-24(25(31)27(33)29-17-7-12-23(29)22-10-5-2-6-11-22)26(32)28-18-19-13-15-21(16-14-19)20-8-3-1-4-9-20/h1-6,8-11,13-16,23-25,30-31H,7,12,17-18H2,(H,28,32)/t23-,24-,25-/m1/s1
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MMDB

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PC cid
PC sid
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Article
PubMed
22n/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