BDBM60118 4-chloranyl-6-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::4-chloro-6-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::4-chloro-6-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid::MLS000716336::SMR000277853::cid_2921960

SMILES: OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCCc2c1C#N

InChI Key: InChIKey=CEHZPXULSNRIGE-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 = 60118   

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))	BDBM60118 (4-chloranyl-6-[(3-cyano-5,6,7,8-tetrahydro-4H-cycl...) Show SMILES OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCCc2c1C#N |t:5| Show InChI InChI=1S/C18H19ClN2O3S/c19-10-6-7-12(18(23)24)13(8-10)16(22)21-17-14(9-20)11-4-2-1-3-5-15(11)25-17/h6,12-13H,1-5,7-8H2,(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)	BDBM60118 (4-chloranyl-6-[(3-cyano-5,6,7,8-tetrahydro-4H-cycl...) Show SMILES OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCCc2c1C#N |t:5| Show InChI InChI=1S/C18H19ClN2O3S/c19-10-6-7-12(18(23)24)13(8-10)16(22)21-17-14(9-20)11-4-2-1-3-5-15(11)25-17/h6,12-13H,1-5,7-8H2,(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