BDBM50251417 4-[(R)-2-(4-Fluoro-benzyl)-1,3-dioxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl]-benzamidine; hydrochloride::CHEMBL480315

SMILES: NC(=N)c1ccc(cc1)[C@H]1C2C(C3CCCN13)C(=O)N(Cc1ccc(F)cc1)C2=O

InChI Key: InChIKey=GJYCQHGTXMVIBG-WSXZXBBNSA-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 = 50251417   

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))	BDBM50251417 (4-[(R)-2-(4-Fluoro-benzyl)-1,3-dioxo-decahydro-pyr...) Show SMILES NC(=N)c1ccc(cc1)[C@H]1C2C(C3CCCN13)C(=O)N(Cc1ccc(F)cc1)C2=O |r| Show InChI InChI=1S/C23H23FN4O2/c24-16-9-3-13(4-10-16)12-28-22(29)18-17-2-1-11-27(17)20(19(18)23(28)30)14-5-7-15(8-6-14)21(25)26/h3-10,17-20H,1-2,11-12H2,(H3,25,26)/t17?,18?,19?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human thrombin				J Med Chem 51: 4359-69 (2008) Article DOI: 10.1021/jm800219f BindingDB Entry DOI: 10.7270/Q28915N5
					More data for this Ligand-Target Pair