BDBM50149026 CHEMBL331194::Oxyguanidine derivative

SMILES: CCCN(Cc1ccccn1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1

InChI Key: InChIKey=OEAXQWLDGYTGNU-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 = 50149026   

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))	BDBM50149026 (CHEMBL331194 | Oxyguanidine derivative) Show SMILES CCCN(Cc1ccccn1)C(=O)c1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C21H29N5O3/c1-3-9-26(15-18-7-4-5-8-24-18)20(27)17-12-16(2)13-19(14-17)28-10-6-11-29-25-21(22)23/h4-5,7-8,12-14H,3,6,9-11,15H2,1-2H3,(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	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