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BDBM50342973 (2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-2,3-dihydroxy-4-((R)-2-methyl-2-phenylpyrrolidin-1-yl)-4-oxobutanamide::CHEMBL1770630

SMILES: C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@]1(C)c1cccc(Cl)c1)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=PSWJMXOVKOAUDH-VLYKXWEESA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50342973   
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))
BDBM50342973
PNG
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)
Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@]1(C)c1cccc(Cl)c1)c1ccc(cc1)-n1cccn1 |r|
Show InChI InChI=1S/C26H29ClN4O4/c1-17(18-8-10-21(11-9-18)31-15-5-13-28-31)29-24(34)22(32)23(33)25(35)30-14-4-12-26(30,2)19-6-3-7-20(27)16-19/h3,5-11,13,15-17,22-23,32-33H,4,12,14H2,1-2H3,(H,29,34)/t17-,22-,23-,26-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 21: 3172-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.002
BindingDB Entry DOI: 10.7270/Q28P60T1
More data for this
Ligand-Target Pair