BindingDB PrimarySearch

BDBM50175075 (S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran-5-ylamino)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)acrylate::CHEMBL198629

SMILES: Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C(=O)OCCCCO

InChI Key: InChIKey=CMLPKFXOBMIEHA-CGAIIQECSA-N

Data: 10 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50175075
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))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) 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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human FXa				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to thrombin				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Beta-chymotrypsin (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to chymotrypsin				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to factor IXa				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) 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	>1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to urokinase				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) 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	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to tPA				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to plasma kallikrein				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) 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	>2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to activated protein C				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) 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	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to plasmin				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) 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	>5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to factor VIIa				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50175075 ((S,Z)-4-hydroxybutyl 2-cyano-3-(2-methylbenzofuran...) 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	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against human FXa				Bioorg Med Chem Lett 15: 5453-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.107 BindingDB Entry DOI: 10.7270/Q2KH0MW5
					More data for this Ligand-Target Pair