BDBM96885 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-dichlorophenyl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide::MLS003777924::SMR002440904::cid_53361926
SMILES: CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl
InChI Key: InChIKey=CKUPHHILFUTXSL-VXKWHMMOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
G-protein subunit alpha-16 (Homo sapiens (Human)) | BDBM96885 ((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-d...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | 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 | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2CN72J7 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G-protein subunit alpha-16 (Homo sapiens (Human)) | BDBM96885 ((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-d...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >2.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2QZ28KG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM96885 ((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-d...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q24748HT | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
trace amine-associated receptor 1 (Homo sapiens (Human)) | BDBM96885 ((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-d...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q280517J | ||||||||||||
More data for this Ligand-Target Pair |