BindingDB PrimarySearch

BDBM50206985 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE::2-(5-chlorothiophen-2-yl)-N-((S)-1-((S)-1-morpholino-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl)ethanesulfonamide::CHEMBL391737

SMILES: C[C@H](N1CC[C@H](NS(=O)(=O)CCc2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1

InChI Key: InChIKey=IAUZEBLXCOCAFL-JSGCOSHPSA-N

Data: 3 KI 4 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50206985
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
Prothrombin (Homo sapiens (Human))	BDBM50206985 (2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of thrombin by fluorogenic assay				Bioorg Med Chem Lett 17: 2931-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.034 BindingDB Entry DOI: 10.7270/Q2FJ2GFJ
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50206985 (2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of thrombin by fluorogenic assay				Bioorg Med Chem Lett 17: 2927-30 (2007) Article DOI: 10.1016/j.bmcl.2007.03.080 BindingDB Entry DOI: 10.7270/Q22V2FTR
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM50206985 (2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of factor 10a by fluorogenic assay				Bioorg Med Chem Lett 17: 2927-30 (2007) Article DOI: 10.1016/j.bmcl.2007.03.080 BindingDB Entry DOI: 10.7270/Q22V2FTR
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM50206985 (2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of kallikrein by fluorogenic assay				Bioorg Med Chem Lett 17: 2927-30 (2007) Article DOI: 10.1016/j.bmcl.2007.03.080 BindingDB Entry DOI: 10.7270/Q22V2FTR
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50206985 (2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of activated protein C by fluorogenic assay				Bioorg Med Chem Lett 17: 2927-30 (2007) Article DOI: 10.1016/j.bmcl.2007.03.080 BindingDB Entry DOI: 10.7270/Q22V2FTR
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50206985 (2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of plasmin by fluorogenic assay				Bioorg Med Chem Lett 17: 2927-30 (2007) Article DOI: 10.1016/j.bmcl.2007.03.080 BindingDB Entry DOI: 10.7270/Q22V2FTR
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50206985 (2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of tissue plasminogen activator by fluorogenic assay				Bioorg Med Chem Lett 17: 2927-30 (2007) Article DOI: 10.1016/j.bmcl.2007.03.080 BindingDB Entry DOI: 10.7270/Q22V2FTR
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair