BindingDB PrimarySearch

BDBM17643 (E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethene-1-sulfonamide::CHEMBL220050::N-[(3S)-2-oxopyrrolidin-3-yl]sulfonamide, 1f

SMILES: C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1

InChI Key: InChIKey=ACEFOQMQINFMRW-DYCFVMESSA-N

Data: 7 KI 4 IC50

PDB links: 2 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 17643
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))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) 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 Similars	MMDB PDB Article PubMed	4	-11.3	n/a	n/a	n/a	n/a	n/a	7.4	22
GSK					Assay Description The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...				J Med Chem 50: 1546-57 (2007) Article DOI: 10.1021/jm060870c BindingDB Entry DOI: 10.7270/Q2F18X06
GSK					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) 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 Similars	MMDB PDB Article PubMed	4	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)
Coagulation factor X (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) 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 Similars	MMDB PDB Article PubMed	4	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 activity measured using bis-(CBZ-glycylglycly)-L-arginine amide fluorogenic substrate				Bioorg Med Chem Lett 21: 1582-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.131 BindingDB Entry DOI: 10.7270/Q28052WG
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) 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 Similars	MMDB PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human factor 10a by fluorescence assay				Bioorg Med Chem Lett 20: 618-22 (2010) Article DOI: 10.1016/j.bmcl.2009.11.077 BindingDB Entry DOI: 10.7270/Q24M94NN
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) 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 Similars	MMDB PDB Article PubMed	4	n/a	n/a	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				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	367	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)
Prothrombin (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	367	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)
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) 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 Similars	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
Plasma kallikrein (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+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
Plasminogen (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) 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 Similars	Article PubMed	n/a	n/a	>1.58E+5	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
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM17643 ((E)-2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[(2S)-1-(m...) 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 Similars	Article PubMed	n/a	n/a	>2.00E+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