BDBM50125026 3-((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-methyl}-3-oxo-1-phenylmethanesulfonyl-piperazin-2-yl)-propionic acid::CHEMBL349618

SMILES: NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CCC(O)=O)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1

InChI Key: InChIKey=SYSYKLZQEKYYOI-RBUKOAKNSA-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 = 50125026   

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))	BDBM50125026 (3-((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CCC(O)=O)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C25H33N7O7S2/c26-25(27)29-10-4-7-18(22(36)23-28-11-14-40-23)30-20(33)15-31-12-13-32(19(24(31)37)8-9-21(34)35)41(38,39)16-17-5-2-1-3-6-17/h1-3,5-6,11,14,18-19H,4,7-10,12-13,15-16H2,(H,30,33)(H,34,35)(H4,26,27,29)/t18-,19+/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	4	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
Prothrombin (Homo sapiens (Human))	BDBM50125026 (3-((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CCC(O)=O)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C25H33N7O7S2/c26-25(27)29-10-4-7-18(22(36)23-28-11-14-40-23)30-20(33)15-31-12-13-32(19(24(31)37)8-9-21(34)35)41(38,39)16-17-5-2-1-3-6-17/h1-3,5-6,11,14,18-19H,4,7-10,12-13,15-16H2,(H,30,33)(H,34,35)(H4,26,27,29)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	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