BDBM50063753 CHEMBL12131::Closantel::N-(5-chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamide::N-{5-Chloro-4-[(4-chloro-phenyl)-cyano-methyl]-2-methyl-phenyl}-2-hydroxy-3,5-diiodo-benzamide::cid_42574
SMILES: Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
InChI Key: InChIKey=JMPFSEBWVLAJKM-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chitinase (Onchocerca volvulus) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 468 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Skaggs Institute for Chemical Biology Curated by ChEMBL | Assay Description Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m... | J Med Chem 54: 3963-72 (2011) Article DOI: 10.1021/jm200364n BindingDB Entry DOI: 10.7270/Q21V5FB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase (Onchocerca volvulus) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Competitive inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 ... | J Med Chem 57: 5792-9 (2014) Article DOI: 10.1021/jm5006435 BindingDB Entry DOI: 10.7270/Q23B61Q3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase (Onchocerca volvulus) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Skaggs Institute for Chemical Biology Curated by ChEMBL | Assay Description Inhibition of Onchocerca volvulus L3 larvae chitinase using 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as a profluorescent substrate after 10 m... | J Med Chem 54: 3963-72 (2011) Article DOI: 10.1021/jm200364n BindingDB Entry DOI: 10.7270/Q21V5FB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic Alpha (Homo sapiens (Human)) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of MPP+ after 1 min | J Med Chem 60: 2685-2696 (2017) Article DOI: 10.1021/acs.jmedchem.6b01317 BindingDB Entry DOI: 10.7270/Q2NV9MHQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thiosulfate sulfurtransferase (Homo sapiens) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo... | J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
10 kDa chaperonin (Escherichia coli) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ... | J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
10 kDa chaperonin (Escherichia coli) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ... | J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
60 kDa heat shock protein, mitochondrial (Homo sapiens) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset... | J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sporulation kinase A (Bacillus subtilis (strain 168)) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of autophosphorylation of the two-component signal transduction system kinase was measured using the KinA/Spo0F regulatory system of Bacil... | J Med Chem 41: 2939-45 (1998) Article DOI: 10.1021/jm9803572 BindingDB Entry DOI: 10.7270/Q2VM4G0W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thiosulfate sulfurtransferase (Homo sapiens) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
10 kDa chaperonin (Escherichia coli) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HSP60/HSP10 (Homo sapiens) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
60 kDa chaperonin (Escherichia coli) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
10 kDa chaperonin (Escherichia coli) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ... | Bioorg Med Chem Lett 29: 1106-1112 (2019) Article DOI: 10.1016/j.bmcl.2019.02.028 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 11 (Homo sapiens (Human)) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >3.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitinase (Onchocerca volvulus) | BDBM50063753 (CHEMBL12131 | Closantel | N-(5-chloro-4-((4-chloro...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of Onchocerca volvulus L3 larvae chitinase using 20 uM 4-methylumbelliferyl-N,N',N''-beta-chitotrioside as substrate after 10 mins by micr... | J Med Chem 57: 5792-9 (2014) Article DOI: 10.1021/jm5006435 BindingDB Entry DOI: 10.7270/Q23B61Q3 | |||||||||||
More data for this Ligand-Target Pair |