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BDBM50324760 (3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-1-(pyrrolidine-1-carbonyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1221724

SMILES: Fc1cc(ccc1NC(=O)[C@H]1CN(C[C@@H]1C(=O)Nc1ccc(Cl)cc1)C(=O)N1CCCC1)-n1ccccc1=O

InChI Key: InChIKey=YXYLXSZMPMFFLH-VXKWHMMOSA-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 = 50324760   
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))
BDBM50324760
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(C[C@@H]1C(=O)Nc1ccc(Cl)cc1)C(=O)N1CCCC1)-n1ccccc1=O |r|
Show InChI InChI=1S/C28H27ClFN5O4/c29-18-6-8-19(9-7-18)31-26(37)21-16-34(28(39)33-12-3-4-13-33)17-22(21)27(38)32-24-11-10-20(15-23(24)30)35-14-2-1-5-25(35)36/h1-2,5-11,14-15,21-22H,3-4,12-13,16-17H2,(H,31,37)(H,32,38)/t21-,22-/m0/s1
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Article
PubMed
71n/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))
BDBM50324760
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(C[C@@H]1C(=O)Nc1ccc(Cl)cc1)C(=O)N1CCCC1)-n1ccccc1=O |r|
Show InChI InChI=1S/C28H27ClFN5O4/c29-18-6-8-19(9-7-18)31-26(37)21-16-34(28(39)33-12-3-4-13-33)17-22(21)27(38)32-24-11-10-20(15-23(24)30)35-14-2-1-5-25(35)36/h1-2,5-11,14-15,21-22H,3-4,12-13,16-17H2,(H,31,37)(H,32,38)/t21-,22-/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