BDBM50251440 4-((R)-2-Benzyl-1,3-dioxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine; hydrochloride::CHEMBL480133

SMILES: NC(=N)c1ccc(cc1)[C@H]1C2C(C3CCCN13)C(=O)N(Cc1ccccc1)C2=O

InChI Key: InChIKey=QKVYJJDWLBNNSF-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 = 50251440   

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))	BDBM50251440 (4-((R)-2-Benzyl-1,3-dioxo-decahydro-pyrrolo[3,4-a]...) Show SMILES NC(=N)c1ccc(cc1)[C@H]1C2C(C3CCCN13)C(=O)N(Cc1ccccc1)C2=O |r| Show InChI InChI=1S/C23H24N4O2/c24-21(25)16-10-8-15(9-11-16)20-19-18(17-7-4-12-26(17)20)22(28)27(23(19)29)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-20H,4,7,12-13H2,(H3,24,25)/t17?,18?,19?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	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