BDBM50120232 CHEMBL327093::Cyclohexyl-{2-[2-(4-guanidino-butyrylamino)-3-(4-nitro-phenyl)-propionylamino]-3-hydroxy-butyrylamino}-acetic acid

SMILES: CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C1CCCCC1)C(O)=O

InChI Key: InChIKey=YWXXSDKHZCWDGD-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50120232   

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))	BDBM50120232 (CHEMBL327093 | Cyclohexyl-{2-[2-(4-guanidino-butyr...) Show SMILES CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C1CCCCC1)C(O)=O Show InChI InChI=1S/C26H39N7O8/c1-15(34)21(24(37)32-22(25(38)39)17-6-3-2-4-7-17)31-23(36)19(30-20(35)8-5-13-29-26(27)28)14-16-9-11-18(12-10-16)33(40)41/h9-12,15,17,19,21-22,34H,2-8,13-14H2,1H3,(H8,27,28,29,30,31,32,35,36,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit Human alpha-thrombin was determined				Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK
					More data for this Ligand-Target Pair