BDBM50149007 CHEMBL122029::Oxyguanidine derivative

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

InChI Key: InChIKey=GQJHNLAPADDXSE-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 = 50149007   

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))	BDBM50149007 (CHEMBL122029 | Oxyguanidine derivative) Show SMILES CCOC(=O)CCN(CC1CC1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C21H32N4O5/c1-3-28-19(26)7-8-25(14-16-5-6-16)20(27)17-11-15(2)12-18(13-17)29-9-4-10-30-24-21(22)23/h11-13,16H,3-10,14H2,1-2H3,(H4,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	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