BDBM50148986 CHEMBL122553::Oxyguanidine derivative

SMILES: COC(=O)CCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1

InChI Key: InChIKey=RXJIQVCZQYDERR-UHFFFAOYSA-N

Data: 1 KI

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 = 50148986   

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))	BDBM50148986 (CHEMBL122553 | Oxyguanidine derivative) Show SMILES COC(=O)CCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C19H27ClN4O5/c1-27-17(25)5-6-24(12-13-3-4-13)18(26)14-9-15(20)11-16(10-14)28-7-2-8-29-23-19(21)22/h9-11,13H,2-8,12H2,1H3,(H4,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 14: 3727-31 (2004) Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q
					More data for this Ligand-Target Pair