BDBM87262 2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2',5-dioxo-1,1',3',4,5,6,7,8-octahydrospiro[quinoline-4,3'-(2'H)-indole]-3-carbonitrile::2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2',5-dioxo-3-spiro[7,8-dihydro-6H-quinoline-4,3'-indole]carbonitrile::2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile::2-amino-1-(3,5-dichlorophenyl)-2',5-diketo-1'-methyl-spiro[7,8-dihydro-6H-quinoline-4,3'-indoline]-3-carbonitrile::2-azanyl-1-[3,5-bis(chloranyl)phenyl]-1'-methyl-2',5-bis(oxidanylidene)spiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile::MLS000545711::SMR000161609::cid_3585893
SMILES: CN1C(=O)C2(C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cc(Cl)cc(Cl)c2)c2ccccc12
InChI Key: InChIKey=WQSGSGPRTDUPLB-UHFFFAOYSA-N
Data: 3 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...) | BDBM87262 (2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2'...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.36E+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/Q2D21W6V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human)) | BDBM87262 (2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2'...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.63E+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 | |||||||||||||
Nuclear receptor coactivator 1 (Homo sapiens (Human)) | BDBM87262 (2-amino-1-(3,5-dichlorophenyl)-1'-methyl-2'...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >3.59E+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 |