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BDBM50324785 (3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(6-oxopyridazin-1(6H)-yl)phenyl)-1-(methylsulfonyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1222285

SMILES: CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ncccc1=O)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=WPUDWYBGCRVIAB-ROUUACIJSA-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 = 50324785   
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))
BDBM50324785
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(6-oxop...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ncccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H21ClFN5O5S/c1-36(34,35)29-12-17(22(32)27-15-6-4-14(24)5-7-15)18(13-29)23(33)28-20-9-8-16(11-19(20)25)30-21(31)3-2-10-26-30/h2-11,17-18H,12-13H2,1H3,(H,27,32)(H,28,33)/t17-,18-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.78E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

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