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BDBM50324765 (3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1221793

SMILES: Fc1cc(ccc1NC(=O)[C@H]1CN(Cc2ccncc2)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)-n1ccccc1=O

InChI Key: InChIKey=OOXBKWWZPJXELZ-ZEQRLZLVSA-N

Data: 2 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324765   
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))
BDBM50324765
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(Cc2ccncc2)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)-n1ccccc1=O |r|
Show InChI InChI=1S/C29H25ClFN5O3/c30-20-4-6-21(7-5-20)33-28(38)23-17-35(16-19-10-12-32-13-11-19)18-24(23)29(39)34-26-9-8-22(15-25(26)31)36-14-2-1-3-27(36)37/h1-15,23-24H,16-18H2,(H,33,38)(H,34,39)/t23-,24-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
34n/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))
BDBM50324765
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(Cc2ccncc2)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)-n1ccccc1=O |r|
Show InChI InChI=1S/C29H25ClFN5O3/c30-20-4-6-21(7-5-20)33-28(38)23-17-35(16-19-10-12-32-13-11-19)18-24(23)29(39)34-26-9-8-22(15-25(26)31)36-14-2-1-3-27(36)37/h1-15,23-24H,16-18H2,(H,33,38)(H,34,39)/t23-,24-/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