BDBM60119 4-chloranyl-6-[(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::4-chloro-6-[(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::4-chloro-6-[(3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid::4-chloro-6-[[(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid::MLS000716335::SMR000277852::cid_2920918

SMILES: CC1CCc2sc(NC(=O)C3CC(Cl)=CCC3C(O)=O)c(C#N)c2C1

InChI Key: InChIKey=ALGGPDBMSJBQIC-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 = 60119   

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))	BDBM60119 (4-chloranyl-6-[(3-cyano-5-methyl-4,5,6,7-tetrahydr...) Show SMILES CC1CCc2sc(NC(=O)C3CC(Cl)=CCC3C(O)=O)c(C#N)c2C1 |c:13| Show InChI InChI=1S/C18H19ClN2O3S/c1-9-2-5-15-12(6-9)14(8-20)17(25-15)21-16(22)13-7-10(19)3-4-11(13)18(23)24/h3,9,11,13H,2,4-7H2,1H3,(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)	BDBM60119 (4-chloranyl-6-[(3-cyano-5-methyl-4,5,6,7-tetrahydr...) Show SMILES CC1CCc2sc(NC(=O)C3CC(Cl)=CCC3C(O)=O)c(C#N)c2C1 |c:13| Show InChI InChI=1S/C18H19ClN2O3S/c1-9-2-5-15-12(6-9)14(8-20)17(25-15)21-16(22)13-7-10(19)3-4-11(13)18(23)24/h3,9,11,13H,2,4-7H2,1H3,(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