BindingDB PrimarySearch

BDBM50134404 (R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid [4-(3-oxo-morpholin-4-yl)-phenyl]-amide::(S)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid [4-(3-oxo-morpholin-4-yl)-phenyl]-amide::CHEMBL122023

SMILES: CCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1=O

InChI Key: InChIKey=TWXYXCQOGPSRAK-LJQANCHMSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50134404
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))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) 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	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human Coagulation factor X in a purified enzyme system				Bioorg Med Chem Lett 13: 3715-8 (2003) BindingDB Entry DOI: 10.7270/Q2VH5N8W
Merck KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) 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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd to human coagulation factor Xa				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
Merck KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity of the compoumd against human trypsin was determined				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
Merck KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) 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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin II (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human trypsin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
Merck KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human thrombin activity				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
Merck KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) 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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibitory concentration against human serine protease factor Xa				Bioorg Med Chem Lett 14: 5817-22 (2004) Article DOI: 10.1016/j.bmcl.2004.09.043 BindingDB Entry DOI: 10.7270/Q2FX78ZG
Merck KGaA Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50134404 ((R)-2-[3-(4-Chloro-phenyl)-ureido]-pentanoic acid ...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity against human thrombin.				Bioorg Med Chem Lett 14: 3763-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.097 BindingDB Entry DOI: 10.7270/Q25H7FQS
Merck KGaA Curated by ChEMBL					More data for this Ligand-Target Pair