BindingDB PrimarySearch

BDBM12594 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE::4-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzene-1-carboximidamide::CHEMBL48813::Ketopiperazine::RPR200095

SMILES: NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1

InChI Key: InChIKey=VXONTEUOQXFJJS-UHFFFAOYSA-N

Data: 5 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 12594
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM12594 (4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Coagulation factor Xa				Bioorg Med Chem Lett 12: 919-22 (2002) Article DOI: 10.1016/s0960-894x(02)00056-2 BindingDB Entry DOI: 10.7270/Q28C9VJT
Aventis Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12594 (4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30	-12.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Aventis Pharma					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				J Med Chem 46: 685-90 (2003) Article DOI: 10.1021/jm0203837 BindingDB Entry DOI: 10.7270/Q2VH5M2S
Aventis Pharma					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12594 (4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against Coagulation factor X				Bioorg Med Chem Lett 10: 1737-9 (2000) Article DOI: 10.1016/s0960-894x(00)00316-4 BindingDB Entry DOI: 10.7270/Q23777Z2
Aventis Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trypsin (Bos taurus (bovine))	BDBM12594 (4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.90E+3	>-7.47	n/a	n/a	n/a	n/a	n/a	7.5	22
Aventis Pharma					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				J Med Chem 46: 685-90 (2003) Article DOI: 10.1021/jm0203837 BindingDB Entry DOI: 10.7270/Q2VH5M2S
Aventis Pharma					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12594 (4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>4.00E+3	>-7.28	n/a	n/a	n/a	n/a	n/a	7.5	22
Aventis Pharma					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				J Med Chem 46: 685-90 (2003) Article DOI: 10.1021/jm0203837 BindingDB Entry DOI: 10.7270/Q2VH5M2S
Aventis Pharma					More data for this Ligand-Target Pair