Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 258.4 BDBM42411Purchase

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

Found 5 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
COUP transcription factor 2 (Homo sapiens (Human))	BDBM42411 ((4-hexyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1...) Show SMILES CCCCCCn1c2CCCc2c(=N)c2CCCc12 Show InChI InChI=1S/C17H26N2/c1-2-3-4-5-12-19-15-10-6-8-13(15)17(18)14-9-7-11-16(14)19/h18H,2-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21Z431S
					More data for this Ligand-Target Pair
Galanin receptor type 3 (Homo sapiens (Human))	BDBM42411 ((4-hexyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1...) Show SMILES CCCCCCn1c2CCCc2c(=N)c2CCCc12 Show InChI InChI=1S/C17H26N2/c1-2-3-4-5-12-19-15-10-6-8-13(15)17(18)14-9-7-11-16(14)19/h18H,2-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q270802Q
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM42411 ((4-hexyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1...) Show SMILES CCCCCCn1c2CCCc2c(=N)c2CCCc12 Show InChI InChI=1S/C17H26N2/c1-2-3-4-5-12-19-15-10-6-8-13(15)17(18)14-9-7-11-16(14)19/h18H,2-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.75E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2ZS2TWK
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM42411 ((4-hexyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1...) Show SMILES CCCCCCn1c2CCCc2c(=N)c2CCCc12 Show InChI InChI=1S/C17H26N2/c1-2-3-4-5-12-19-15-10-6-8-13(15)17(18)14-9-7-11-16(14)19/h18H,2-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.46E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V1235Z
					More data for this Ligand-Target Pair
Tegument protein VP16 (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM42411 ((4-hexyl-1,2,3,5,6,7-hexahydrodicyclopenta[1,2-c:1...) Show SMILES CCCCCCn1c2CCCc2c(=N)c2CCCc12 Show InChI InChI=1S/C17H26N2/c1-2-3-4-5-12-19-15-10-6-8-13(15)17(18)14-9-7-11-16(14)19/h18H,2-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.54E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GM85ZT
					More data for this Ligand-Target Pair