BDBM50125027 ((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-methyl}-3-oxo-1-phenylmethanesulfonyl-piperazin-2-yl)-acetic acid ethyl ester::CHEMBL351421

SMILES: CCOC(=O)C[C@H]1N(CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)C1=O)S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=GGCYUXUNPUOAQW-VQTJNVASSA-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 = 50125027   

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))	BDBM50125027 (((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-b...) Show SMILES CCOC(=O)C[C@H]1N(CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)C1=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C26H35N7O7S2/c1-2-40-22(35)15-20-25(37)32(12-13-33(20)42(38,39)17-18-7-4-3-5-8-18)16-21(34)31-19(9-6-10-30-26(27)28)23(36)24-29-11-14-41-24/h3-5,7-8,11,14,19-20H,2,6,9-10,12-13,15-17H2,1H3,(H,31,34)(H4,27,28,30)/t19-,20+/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	7	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))	BDBM50125027 (((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-b...) Show SMILES CCOC(=O)C[C@H]1N(CCN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)C1=O)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C26H35N7O7S2/c1-2-40-22(35)15-20-25(37)32(12-13-33(20)42(38,39)17-18-7-4-3-5-8-18)16-21(34)31-19(9-6-10-30-26(27)28)23(36)24-29-11-14-41-24/h3-5,7-8,11,14,19-20H,2,6,9-10,12-13,15-17H2,1H3,(H,31,34)(H4,27,28,30)/t19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+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