null

SMILES: CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1

InChI Key: InChIKey=NPPGCKAKGQTIMX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 40234   

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
Estrogen receptor (Homo sapiens (Human))	BDBM40234 (3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tet...) Show SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13| Show InChI InChI=1S/C20H19N3O3S/c1-2-25-15-7-5-14(6-8-15)22-12-23-19(24)10-16(18-4-3-9-26-18)17(11-21)20(23)27-13-22/h3-9,16H,2,10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM40234 (3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tet...) Show SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13| Show InChI InChI=1S/C20H19N3O3S/c1-2-25-15-7-5-14(6-8-15)22-12-23-19(24)10-16(18-4-3-9-26-18)17(11-21)20(23)27-13-22/h3-9,16H,2,10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM40234 (3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tet...) Show SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13| Show InChI InChI=1S/C20H19N3O3S/c1-2-25-15-7-5-14(6-8-15)22-12-23-19(24)10-16(18-4-3-9-26-18)17(11-21)20(23)27-13-22/h3-9,16H,2,10,12-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+5	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 (2009) BindingDB Entry DOI: 10.7270/Q2DF6PNW
					More data for this Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B (Homo sapiens (Human))	BDBM40234 (3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tet...) Show SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13| Show InChI InChI=1S/C20H19N3O3S/c1-2-25-15-7-5-14(6-8-15)22-12-23-19(24)10-16(18-4-3-9-26-18)17(11-21)20(23)27-13-22/h3-9,16H,2,10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM40234 (3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tet...) Show SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13| Show InChI InChI=1S/C20H19N3O3S/c1-2-25-15-7-5-14(6-8-15)22-12-23-19(24)10-16(18-4-3-9-26-18)17(11-21)20(23)27-13-22/h3-9,16H,2,10,12-13H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.09E+5	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 (2009) BindingDB Entry DOI: 10.7270/Q2J67FCM
					More data for this Ligand-Target Pair
Amyloid-beta A4 precursor protein-binding family A member 1 (Rattus norvegicus)	BDBM40234 (3-(4-Ethoxy-phenyl)-7-furan-2-yl-5-oxo-3,4,6,7-tet...) Show SMILES CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13| Show InChI InChI=1S/C20H19N3O3S/c1-2-25-15-7-5-14(6-8-15)22-12-23-19(24)10-16(18-4-3-9-26-18)17(11-21)20(23)27-13-22/h3-9,16H,2,10,12-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20P0XFH
					More data for this Ligand-Target Pair