BDBM50072292 (3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta[b]furan-2-one::CHEMBL100989

SMILES: O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1

InChI Key: InChIKey=LHVRINJTNXVOIY-SRVKXCTJSA-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 = 50072292   

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
Chymotrypsin-C (Homo sapiens (Human))	BDBM50072292 ((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	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
Serine protease 1 (Homo sapiens (Human))	BDBM50072292 ((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/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	0.0200	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
Prothrombin (Homo sapiens (Human))	BDBM50072292 ((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...) Show SMILES O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1 Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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