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BDBM50324761 (3R,4R)-propyl 3-(4-chlorophenylcarbamoyl)-4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylcarbamoyl)pyrrolidine-1-carboxylate::CHEMBL1221725

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

InChI Key: InChIKey=XOODLPVVNFYOQH-SFTDATJTSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50324761   
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))
BDBM50324761
PNG
((3R,4R)-propyl 3-(4-chlorophenylcarbamoyl)-4-(2-fl...)
Show SMILES CCCOC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H26ClFN4O5/c1-2-13-38-27(37)32-15-20(25(35)30-18-8-6-17(28)7-9-18)21(16-32)26(36)31-23-11-10-19(14-22(23)29)33-12-4-3-5-24(33)34/h3-12,14,20-21H,2,13,15-16H2,1H3,(H,30,35)(H,31,36)/t20-,21-/m0/s1
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PC sid
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Similars

Article
PubMed
47n/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))
BDBM50324761
PNG
((3R,4R)-propyl 3-(4-chlorophenylcarbamoyl)-4-(2-fl...)
Show SMILES CCCOC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H26ClFN4O5/c1-2-13-38-27(37)32-15-20(25(35)30-18-8-6-17(28)7-9-18)21(16-32)26(36)31-23-11-10-19(14-22(23)29)33-12-4-3-5-24(33)34/h3-12,14,20-21H,2,13,15-16H2,1H3,(H,30,35)(H,31,36)/t20-,21-/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