BDBM50124976 2-[4-(3-Chloro-benzenesulfonyl)-2-oxo-piperazin-1-yl]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide::CHEMBL162669

SMILES: NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc(Cl)c1)C(=O)c1nccs1

InChI Key: InChIKey=FRAYXFXHPHNXPH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50124976   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM50124976 (2-[4-(3-Chloro-benzenesulfonyl)-2-oxo-piperazin-1-...) Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc(Cl)c1)C(=O)c1nccs1 Show InChI InChI=1S/C21H26ClN7O5S2/c22-14-3-1-4-15(11-14)36(33,34)29-9-8-28(18(31)13-29)12-17(30)27-16(5-2-6-26-21(23)24)19(32)20-25-7-10-35-20/h1,3-4,7,10-11,16H,2,5-6,8-9,12-13H2,(H,27,30)(H4,23,24,26)	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	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against factor Xa				Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50124976 (2-[4-(3-Chloro-benzenesulfonyl)-2-oxo-piperazin-1-...) Show SMILES NC(=N)NCCCC(NC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cccc(Cl)c1)C(=O)c1nccs1 Show InChI InChI=1S/C21H26ClN7O5S2/c22-14-3-1-4-15(11-14)36(33,34)29-9-8-28(18(31)13-29)12-17(30)27-16(5-2-6-26-21(23)24)19(32)20-25-7-10-35-20/h1,3-4,7,10-11,16H,2,5-6,8-9,12-13H2,(H,27,30)(H4,23,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against serine protease thrombin				Bioorg Med Chem Lett 13: 723-8 (2003) BindingDB Entry DOI: 10.7270/Q2Z037JH
					More data for this Ligand-Target Pair