BDBM50125013 CHEMBL406940::N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-[4-(4-methoxy-benzenesulfonyl)-2-oxo-piperazin-1-yl]-acetamide

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NC(CCCNC(N)=N)C(=O)c2nccs2)C(=O)C1

InChI Key: InChIKey=MODXFPMFSNERRA-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 = 50125013   

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))	BDBM50125013 (CHEMBL406940 | N-[4-Guanidino-1-(thiazole-2-carbon...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NC(CCCNC(N)=N)C(=O)c2nccs2)C(=O)C1 Show InChI InChI=1S/C22H29N7O6S2/c1-35-15-4-6-16(7-5-15)37(33,34)29-11-10-28(19(31)14-29)13-18(30)27-17(3-2-8-26-22(23)24)20(32)21-25-9-12-36-21/h4-7,9,12,17H,2-3,8,10-11,13-14H2,1H3,(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	0.890	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))	BDBM50125013 (CHEMBL406940 | N-[4-Guanidino-1-(thiazole-2-carbon...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NC(CCCNC(N)=N)C(=O)c2nccs2)C(=O)C1 Show InChI InChI=1S/C22H29N7O6S2/c1-35-15-4-6-16(7-5-15)37(33,34)29-11-10-28(19(31)14-29)13-18(30)27-17(3-2-8-26-22(23)24)20(32)21-25-9-12-36-21/h4-7,9,12,17H,2-3,8,10-11,13-14H2,1H3,(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	792	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