BDBM70759 2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide::2-(4-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide::2-[(chloroacetyl)(4-chlorophenyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide::2-[2-chloranylethanoyl-(4-chlorophenyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)ethanamide::MLS000583962::SMR000206948::cid_12004950
SMILES: COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(Cl)cc1)C(=O)NC1CCCCC1
InChI Key: InChIKey=RMLMLLHAWZPLLR-UHFFFAOYSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM70759 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.27E+3 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2D21W6V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor coactivator 1 (Homo sapiens (Human)) | BDBM70759 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.16E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q28914F2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Wnt-3a (Mus musculus) | BDBM70759 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q25B012X | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human)) | BDBM70759 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.70E+3 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2HT2MXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc finger protein GLI1 (Mus musculus) | BDBM70759 (2-(4-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cycl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2862F26 | |||||||||||
More data for this Ligand-Target Pair |