BDBM39009 6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicotinonitrile::6-(4-bromophenyl)-2-methylsulfinyl-4-phenyl-3-pyridinecarbonitrile::6-(4-bromophenyl)-2-methylsulfinyl-4-phenyl-nicotinonitrile::6-(4-bromophenyl)-2-methylsulfinyl-4-phenyl-pyridine-3-carbonitrile::6-(4-bromophenyl)-2-methylsulfinyl-4-phenylpyridine-3-carbonitrile::MLS000048185::SMR000073426::cid_1316704
SMILES: CS(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1
InChI Key: InChIKey=GIJMFAXZRUVIID-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Steroidogenic Factor 1 (Homo sapiens (Human)) | BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.24E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor ROR-alpha (Homo sapiens (Human)) | BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.63E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Steroidogenic Factor 1 (Homo sapiens (Human)) | BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 8.07E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor coactivator 1 (Homo sapiens (Human)) | BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) | 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 | 2.85E+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 | |||||||||||||
Integrin alpha4 (Homo sapiens (Human)) | BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) | PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 2.67E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human)) | BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.71E+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/Q2HT2MXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.17E+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 ROR-alpha (Homo sapiens (Human)) | BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) | PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.74E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ | |||||||||||
More data for this Ligand-Target Pair |