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BDBM50324748 (3R,4R)-1-acetyl-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1221536

SMILES: CC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=WAPQNUZQZHXMIA-PMACEKPBSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324748   
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))
BDBM50324748
PNG
((3R,4R)-1-acetyl-N3-(4-chlorophenyl)-N4-(2-fluoro-...)
Show SMILES CC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H22ClFN4O4/c1-15(32)30-13-19(24(34)28-17-7-5-16(26)6-8-17)20(14-30)25(35)29-22-10-9-18(12-21(22)27)31-11-3-2-4-23(31)33/h2-12,19-20H,13-14H2,1H3,(H,28,34)(H,29,35)/t19-,20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
28n/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
Prothrombin


(Homo sapiens (Human))
BDBM50324748
PNG
((3R,4R)-1-acetyl-N3-(4-chlorophenyl)-N4-(2-fluoro-...)
Show SMILES CC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H22ClFN4O4/c1-15(32)30-13-19(24(34)28-17-7-5-16(26)6-8-17)20(14-30)25(35)29-22-10-9-18(12-21(22)27)31-11-3-2-4-23(31)33/h2-12,19-20H,13-14H2,1H3,(H,28,34)(H,29,35)/t19-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.50E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of thrombin


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