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SMILES: Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1

InChI Key: InChIKey=BEGKXXXIAVVHRO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 43023   

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
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM43023 (2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3...) Show SMILES Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 Show InChI InChI=1S/C19H15BrN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)	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	n/a	n/a	1.33E+4	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 (2008) BindingDB Entry DOI: 10.7270/Q2FT8JGV
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 3 (Homo sapiens (Human))	BDBM43023 (2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3...) Show SMILES Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 Show InChI InChI=1S/C19H15BrN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.83E+4	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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2707ZV7
					More data for this Ligand-Target Pair
Photoreceptor-specific nuclear receptor (Homo sapiens (Human))	BDBM43023 (2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3...) Show SMILES Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 Show InChI InChI=1S/C19H15BrN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	167	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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BK19S0
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1) (Homo sapiens (Human))	BDBM43023 (2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3...) Show SMILES Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 Show InChI InChI=1S/C19H15BrN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	152	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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q26T0K34
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 2 (Homo sapiens (Human))	BDBM43023 (2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3...) Show SMILES Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1 Show InChI InChI=1S/C19H15BrN4O2S/c1-24-18(16-9-12-5-2-3-8-15(12)26-16)22-23-19(24)27-11-17(25)21-14-7-4-6-13(20)10-14/h2-10H,11H2,1H3,(H,21,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.45E+4	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 (2008) BindingDB Entry DOI: 10.7270/Q2QZ28CS
					More data for this Ligand-Target Pair