BindingDB PrimarySearch

BDBM50324743 (3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(5-CHLORO-PYRIDIN-2-YL)-AMIDE]-4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}::(3R,4R)-N3-(5-chloropyridin-2-yl)-1-(2,2-difluoroethyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)pyrrolidine-3,4-dicarboxamide::CHEMBL1221913

SMILES: FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=DVMCMTVFXINJGW-IRXDYDNUSA-N

Data: 9 KI 1 IC50 2 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50324743
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor X (Oryctolagus cuniculus)	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to rabbit 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Rattus norvegicus (rat))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to rat 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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of factor 9a				Bioorg Med Chem Lett 20: 5313-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.126 BindingDB Entry DOI: 10.7270/Q2542NSG
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of factor 11a				Bioorg Med Chem Lett 20: 5313-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.126 BindingDB Entry DOI: 10.7270/Q2542NSG
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 20: 5313-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.126 BindingDB Entry DOI: 10.7270/Q2542NSG
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of activated protein C				Bioorg Med Chem Lett 20: 5313-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.126 BindingDB Entry DOI: 10.7270/Q2542NSG
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of tissue factor/factor 7a				Bioorg Med Chem Lett 20: 5313-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.126 BindingDB Entry DOI: 10.7270/Q2542NSG
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 20: 5313-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.126 BindingDB Entry DOI: 10.7270/Q2542NSG
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50324743 ((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/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
F. Hoffmann-La Roche Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)