Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.5 BDBM40182Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM40182 (2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]s...) Show SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccc(N)cc1 Show InChI InChI=1S/C24H21N5O2S/c1-2-29-23(15-7-9-16(25)10-8-15)27-28-24(29)32-14-22(30)26-17-11-12-19-18-5-3-4-6-20(18)31-21(19)13-17/h3-13H,2,14,25H2,1H3,(H,26,30)	PDB UniProtKB/SwissProt antibodypedia 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
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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM40182 (2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]s...) Show SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccc(N)cc1 Show InChI InChI=1S/C24H21N5O2S/c1-2-29-23(15-7-9-16(25)10-8-15)27-28-24(29)32-14-22(30)26-17-11-12-19-18-5-3-4-6-20(18)31-21(19)13-17/h3-13H,2,14,25H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.96E+3	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28P5XX5
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM40182 (2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]s...) Show SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccc(N)cc1 Show InChI InChI=1S/C24H21N5O2S/c1-2-29-23(15-7-9-16(25)10-8-15)27-28-24(29)32-14-22(30)26-17-11-12-19-18-5-3-4-6-20(18)31-21(19)13-17/h3-13H,2,14,25H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.16E+3	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29P302B
					More data for this Ligand-Target Pair