BDBM50111667 (6S,8aS)-4-Oxo-2-(2-phenyl-ethanesulfonyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [1-(N-hydroxycarbamimidoyl)-piperidin-4-ylmethyl]-amide::CHEMBL278919

SMILES: ONC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)CCc2ccccc2)CC1

InChI Key: InChIKey=ABIODAQQMHJYOO-PMACEKPBSA-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 = 50111667   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50111667 ((6S,8aS)-4-Oxo-2-(2-phenyl-ethanesulfonyl)-octahyd...) Show SMILES ONC(=N)N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)S(=O)(=O)CCc2ccccc2)CC1 Show InChI InChI=1S/C23H34N6O5S/c24-23(26-32)27-11-8-18(9-12-27)14-25-22(31)20-7-6-19-15-28(16-21(30)29(19)20)35(33,34)13-10-17-4-2-1-3-5-17/h1-5,18-20,32H,6-16H2,(H2,24,26)(H,25,31)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shire BioChem. Curated by ChEMBL					Assay Description Inhibition of amidolytic activity of thrombin				Bioorg Med Chem Lett 12: 1181-4 (2002) BindingDB Entry DOI: 10.7270/Q22V2FFT
					More data for this Ligand-Target Pair