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BDBM50343962 (2R,3R)-N-((5-(4-chlorobenzyl)thiophen-2-yl)methyl)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL1779597

SMILES: O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccc(Cl)cc2)s1

InChI Key: InChIKey=XLNMIZGBZLNWEW-WXFUMESZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343962   
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))
BDBM50343962
PNG
((2R,3R)-N-((5-(4-chlorobenzyl)thiophen-2-yl)methyl...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccc(Cl)cc2)s1 |r|
Show InChI InChI=1S/C26H26Cl2N2O4S/c27-18-8-6-16(7-9-18)13-20-10-11-21(35-20)15-29-25(33)23(31)24(32)26(34)30-12-2-5-22(30)17-3-1-4-19(28)14-17/h1,3-4,6-11,14,22-24,31-32H,2,5,12-13,15H2,(H,29,33)/t22-,23-,24-/m1/s1
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Article
PubMed
37n/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