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BDBM50343965 (2R,3R)-N-((5-((1H-imidazol-1-yl)methyl)thiophen-2-yl)methyl)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL1779600

SMILES: O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cn2ccnc2)s1

InChI Key: InChIKey=YKRFVVAVWAADJP-NJDAHSKKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343965   
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))
BDBM50343965
PNG
((2R,3R)-N-((5-((1H-imidazol-1-yl)methyl)thiophen-2...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cn2ccnc2)s1 |r|
Show InChI InChI=1S/C23H25ClN4O4S/c24-16-4-1-3-15(11-16)19-5-2-9-28(19)23(32)21(30)20(29)22(31)26-12-17-6-7-18(33-17)13-27-10-8-25-14-27/h1,3-4,6-8,10-11,14,19-21,29-30H,2,5,9,12-13H2,(H,26,31)/t19-,20-,21-/m1/s1
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MMDB

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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