BDBM60105 6-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid::6-[[3-carbomethoxy-4-(2,5-dimethylphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid::6-[[4-(2,5-dimethylphenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid::6-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid::6-[[[4-(2,5-dimethylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid::MLS000626880::SMR000299264::cid_2932609

SMILES: COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cc(C)ccc1C

InChI Key: InChIKey=JZLQLDFYODLNLD-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 = 60105   

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))	BDBM60105 (6-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-...) Show SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cc(C)ccc1C |c:11| Show InChI InChI=1S/C22H23NO5S/c1-12-8-9-13(2)16(10-12)17-11-29-20(18(17)22(27)28-3)23-19(24)14-6-4-5-7-15(14)21(25)26/h4-5,8-11,14-15H,6-7H2,1-3H3,(H,23,24)(H,25,26)	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)	BDBM60105 (6-({[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-...) Show SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cc(C)ccc1C |c:11| Show InChI InChI=1S/C22H23NO5S/c1-12-8-9-13(2)16(10-12)17-11-29-20(18(17)22(27)28-3)23-19(24)14-6-4-5-7-15(14)21(25)26/h4-5,8-11,14-15H,6-7H2,1-3H3,(H,23,24)(H,25,26)	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