BDBM50072291 4-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan-3-ylmethyl)-benzamidine; compound with acetic acid::CHEMBL323544

SMILES: NC(=N)c1ccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)cc1

InChI Key: InChIKey=POQJVFNWHVBUIE-UPJWGTAASA-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 = 50072291   

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))	BDBM50072291 (4-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...) Show SMILES NC(=N)c1ccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)cc1 Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-6-4-9(5-7-10)8-12-11-2-1-3-13(11)19-15(12)18/h4-7,11-13H,1-3,8H2,(H3,16,17)/t11-,12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50072291 (4-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...) Show SMILES NC(=N)c1ccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)cc1 Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-6-4-9(5-7-10)8-12-11-2-1-3-13(11)19-15(12)18/h4-7,11-13H,1-3,8H2,(H3,16,17)/t11-,12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50072291 (4-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...) Show SMILES NC(=N)c1ccc(C[C@@H]2[C@H]3CCC[C@@H]3OC2=O)cc1 Show InChI InChI=1S/C15H18N2O2/c16-14(17)10-6-4-9(5-7-10)8-12-11-2-1-3-13(11)19-15(12)18/h4-7,11-13H,1-3,8H2,(H3,16,17)/t11-,12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen				Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F
					More data for this Ligand-Target Pair