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BDBM60125 1,2,3,4,7,7-hexachloro-6-(p-phenetylcarbamoyl)bicyclo[2.2.1]hept-2-ene-5-carboxylic acid::1,2,3,4,7,7-hexachloro-6-[(4-ethoxyanilino)-oxomethyl]-5-bicyclo[2.2.1]hept-2-enecarboxylic acid::1,2,3,4,7,7-hexachloro-6-[(4-ethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic acid::1,2,3,4,7,7-hexakis(chloranyl)-6-[(4-ethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic acid::MLS000713583::SMR000273064::cid_3122377

SMILES: CCOc1ccc(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)cc1

InChI Key: InChIKey=XVWDYCAHQUAJMI-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 = 60125   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Procathepsin L


(Homo sapiens (Human))
BDBM60125
PNG
(1,2,3,4,7,7-hexachloro-6-(p-phenetylcarbamoyl)bicy...)
Show SMILES CCOc1ccc(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)cc1 |t:18,TLB:8:10:23:19.17,20:19:10.11:23,THB:12:11:23:19.17,18:17:10.11:23|
Show InChI InChI=1S/C17H13Cl6NO4/c1-2-28-8-5-3-7(4-6-8)24-13(25)9-10(14(26)27)16(21)12(19)11(18)15(9,20)17(16,22)23/h3-6,9-10H,2H2,1H3,(H,24,25)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.96E+4n/an/an/an/an/an/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)
BDBM60125
PNG
(1,2,3,4,7,7-hexachloro-6-(p-phenetylcarbamoyl)bicy...)
Show SMILES CCOc1ccc(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)cc1 |t:18,TLB:8:10:23:19.17,20:19:10.11:23,THB:12:11:23:19.17,18:17:10.11:23|
Show InChI InChI=1S/C17H13Cl6NO4/c1-2-28-8-5-3-7(4-6-8)24-13(25)9-10(14(26)27)16(21)12(19)11(18)15(9,20)17(16,22)23/h3-6,9-10H,2H2,1H3,(H,24,25)(H,26,27)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+3n/an/an/an/an/an/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