BindingDB PrimarySearch

BDBM50324744 (3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-1-isopropylpyrrolidine-3,4-dicarboxamide::CHEMBL1221915

SMILES: CC(C)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1

InChI Key: InChIKey=IIBIFVJQAPYTPR-OALUTQOASA-N

Data: 8 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50324744
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 (Homo sapiens (Human))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 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))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Prothrombin (Homo sapiens (Human))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Plasminogen (Homo sapiens (Human))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50324744 ((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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