BDBM60071 6-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::6-[[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid::6-{[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid::MLS000700936::SMR000231237::cid_3658937

SMILES: OC(=O)C1CC=CCC1C(=O)Nc1sc2CCCCCCc2c1C#N

InChI Key: InChIKey=BJRKVCNTDTWVOA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 60071   

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
Procathepsin L (Homo sapiens (Human))	BDBM60071 (6-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiop...) Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1sc2CCCCCCc2c1C#N |c:5| Show InChI InChI=1S/C19H22N2O3S/c20-11-15-12-7-3-1-2-4-10-16(12)25-18(15)21-17(22)13-8-5-6-9-14(13)19(23)24/h5-6,13-14H,1-4,7-10H2,(H,21,22)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NZ8631
					More data for this Ligand-Target Pair
leucine aminopeptidase (Plasmodium falciparum 3D7)	BDBM60071 (6-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiop...) Show SMILES OC(=O)C1CC=CCC1C(=O)Nc1sc2CCCCCCc2c1C#N |c:5| Show InChI InChI=1S/C19H22N2O3S/c20-11-15-12-7-3-1-2-4-10-16(12)25-18(15)21-17(22)13-8-5-6-9-14(13)19(23)24/h5-6,13-14H,1-4,7-10H2,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8
					More data for this Ligand-Target Pair