BDBM50125029 ((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-methyl}-3-oxo-1-phenylmethanesulfonyl-piperazin-2-yl)-acetic acid::CHEMBL352681

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

InChI Key: InChIKey=OUDNSCJTJRJDGT-ZWKOTPCHSA-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 = 50125029   

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))	BDBM50125029 (((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-b...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CC(O)=O)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C24H31N7O7S2/c25-24(26)28-8-4-7-17(21(35)22-27-9-12-39-22)29-19(32)14-30-10-11-31(18(23(30)36)13-20(33)34)40(37,38)15-16-5-2-1-3-6-16/h1-3,5-6,9,12,17-18H,4,7-8,10-11,13-15H2,(H,29,32)(H,33,34)(H4,25,26,28)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+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 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))	BDBM50125029 (((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-b...) Show SMILES NC(=N)NCCC[C@H](NC(=O)CN1CCN([C@H](CC(O)=O)C1=O)S(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C24H31N7O7S2/c25-24(26)28-8-4-7-17(21(35)22-27-9-12-39-22)29-19(32)14-30-10-11-31(18(23(30)36)13-20(33)34)40(37,38)15-16-5-2-1-3-6-16/h1-3,5-6,9,12,17-18H,4,7-8,10-11,13-15H2,(H,29,32)(H,33,34)(H4,25,26,28)/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	31	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