BDBM46900 4,5-Dichloro-isothiazole-3-carboxylic acid benzyl-[cyclopentylcarbamoyl-(4-methoxy-phenyl)-methyl]-amide::4,5-bis(chloranyl)-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)-1,2-thiazole-3-carboxamide::4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(phenylmethyl)-3-isothiazolecarboxamide::MLS000552854::N-benzyl-4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-1,2-thiazole-3-carboxamide::N-benzyl-4,5-dichloro-N-[2-(cyclopentylamino)-2-keto-1-(4-methoxyphenyl)ethyl]isothiazole-3-carboxamide::SMR000173026::cid_3197152
SMILES: COc1ccc(cc1)C(N(Cc1ccccc1)C(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1
InChI Key: InChIKey=JBDRAQPCORIQNI-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
transient receptor potential cation channel, subfamily N, member 1 (Danio rerio) | BDBM46900 (4,5-Dichloro-isothiazole-3-carboxylic acid benzyl-...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.99E+4 | 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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Z60MG3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MCOLN3 protein (Homo sapiens (Human)) | BDBM46900 (4,5-Dichloro-isothiazole-3-carboxylic acid benzyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | >2.99E+4 | 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) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21834W4 | |||||||||||
More data for this Ligand-Target Pair |