BDBM50228718 (6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-pyrrolo[1,2-a]pyrazine-6-carboxylic acid [(S)-4-guanidino-1-(1-methyl-1H-benzoimidazole-2-carbonyl)-butyl]-amide::(6S,8aS)-N-((S)-5-guanidino-1-(1-methyl-1H-benzo[d]imidazol-2-yl)-1-oxopentan-2-yl)-4-oxo-2-(3-phenylpropanoyl)-octahydropyrrolo[1,2-a]pyrazine-6-carboxamide::CHEMBL256396

SMILES: [#6]-n1c(nc2ccccc12)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H]-2-[#6]-[#7](-[#6]-[#6](=O)-[#7]-1-2)-[#6](=O)-[#6]-[#6]-c1ccccc1

InChI Key: InChIKey=YNTDJVDACAMARL-RSEQLOHWSA-N

Data: 3 IC50

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 3 hits for monomerid = 50228718   

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))	BDBM50228718 ((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...) Show SMILES [#6]-n1c(nc2ccccc12)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H]-2-[#6]-[#7](-[#6]-[#6](=O)-[#7]-1-2)-[#6](=O)-[#6]-[#6]-c1ccccc1 Show InChI InChI=1S/C31H38N8O4/c1-37-24-12-6-5-10-22(24)35-29(37)28(42)23(11-7-17-34-31(32)33)36-30(43)25-15-14-21-18-38(19-27(41)39(21)25)26(40)16-13-20-8-3-2-4-9-20/h2-6,8-10,12,21,23,25H,7,11,13-19H2,1H3,(H,36,43)(H4,32,33,34)/t21-,23-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of human Thrombin				Bioorg Med Chem Lett 9: 835-40 (1999) BindingDB Entry DOI: 10.7270/Q25Q4V8V
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228718 ((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...) Show SMILES [#6]-n1c(nc2ccccc12)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H]-2-[#6]-[#7](-[#6]-[#6](=O)-[#7]-1-2)-[#6](=O)-[#6]-[#6]-c1ccccc1 Show InChI InChI=1S/C31H38N8O4/c1-37-24-12-6-5-10-22(24)35-29(37)28(42)23(11-7-17-34-31(32)33)36-30(43)25-15-14-21-18-38(19-27(41)39(21)25)26(40)16-13-20-8-3-2-4-9-20/h2-6,8-10,12,21,23,25H,7,11,13-19H2,1H3,(H,36,43)(H4,32,33,34)/t21-,23-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human alpha-thrombin				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50228718 ((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...) Show SMILES [#6]-n1c(nc2ccccc12)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6@H]-2-[#6]-[#7](-[#6]-[#6](=O)-[#7]-1-2)-[#6](=O)-[#6]-[#6]-c1ccccc1 Show InChI InChI=1S/C31H38N8O4/c1-37-24-12-6-5-10-22(24)35-29(37)28(42)23(11-7-17-34-31(32)33)36-30(43)25-15-14-21-18-38(19-27(41)39(21)25)26(40)16-13-20-8-3-2-4-9-20/h2-6,8-10,12,21,23,25H,7,11,13-19H2,1H3,(H,36,43)(H4,32,33,34)/t21-,23-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against human trypsin				Bioorg Med Chem Lett 9: 835-40 (1999) BindingDB Entry DOI: 10.7270/Q25Q4V8V
					More data for this Ligand-Target Pair