BDBM50125039 2-((S)-3-Benzyl-4-methanesulfonyl-2-oxo-piperazin-1-yl)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide::CHEMBL162855

SMILES: CS(=O)(=O)N1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)C(=O)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=DHJRGLZHLQHNCV-ROUUACIJSA-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 = 50125039   

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
Prothrombin (Homo sapiens (Human))	BDBM50125039 (2-((S)-3-Benzyl-4-methanesulfonyl-2-oxo-piperazin-...) Show SMILES CS(=O)(=O)N1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)C(=O)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C23H31N7O5S2/c1-37(34,35)30-12-11-29(22(33)18(30)14-16-6-3-2-4-7-16)15-19(31)28-17(8-5-9-27-23(24)25)20(32)21-26-10-13-36-21/h2-4,6-7,10,13,17-18H,5,8-9,11-12,14-15H2,1H3,(H,28,31)(H4,24,25,27)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	642	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: 729-32 (2003) BindingDB Entry DOI: 10.7270/Q2T72GTS
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50125039 (2-((S)-3-Benzyl-4-methanesulfonyl-2-oxo-piperazin-...) Show SMILES CS(=O)(=O)N1CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)C(=O)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C23H31N7O5S2/c1-37(34,35)30-12-11-29(22(33)18(30)14-16-6-3-2-4-7-16)15-19(31)28-17(8-5-9-27-23(24)25)20(32)21-26-10-13-36-21/h2-4,6-7,10,13,17-18H,5,8-9,11-12,14-15H2,1H3,(H,28,31)(H4,24,25,27)/t17-,18-/m0/s1	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	459	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: 729-32 (2003) BindingDB Entry DOI: 10.7270/Q2T72GTS
					More data for this Ligand-Target Pair