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BDBM50324788 (3R,4R)-N3-(4-chlorophenyl)-1-(methylsulfonyl)-N4-(5-(2-(methylsulfonyl)phenyl)pyridin-2-yl)pyrrolidine-3,4-dicarboxamide::CHEMBL1222342

SMILES: CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=DNNWQTGLEBYPRK-SFTDATJTSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50324788   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50324788
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(methylsulfonyl)-N4-...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN4O6S2/c1-37(33,34)22-6-4-3-5-19(22)16-7-12-23(27-13-16)29-25(32)21-15-30(38(2,35)36)14-20(21)24(31)28-18-10-8-17(26)9-11-18/h3-13,20-21H,14-15H2,1-2H3,(H,28,31)(H,27,29,32)/t20-,21-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair