Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.8 BDBM75904

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
Neuropeptides B/W receptor type 1 (Homo sapiens (Human))	BDBM75904 (5-chloranyl-4-(4-methoxyphenoxy)-2-(5,6,7,8-tetrah...) Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc4CCCCc34)c2=O)cc1 Show InChI InChI=1S/C21H19ClN2O3/c1-26-15-9-11-16(12-10-15)27-20-18(22)13-23-24(21(20)25)19-8-4-6-14-5-2-3-7-17(14)19/h4,6,8-13H,2-3,5,7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human NPBWR1 expressed in HEK293T cells co-expressing Galphaqi3 assessed as calcium release after 15 mins by FLIPR assay assay				Bioorg Med Chem Lett 22: 7135-41 (2012) Article DOI: 10.1016/j.bmcl.2012.09.074 BindingDB Entry DOI: 10.7270/Q2WS8VDC
					More data for this Ligand-Target Pair
Neuropeptides B/W receptor type 1 (Homo sapiens (Human))	BDBM75904 (5-chloranyl-4-(4-methoxyphenoxy)-2-(5,6,7,8-tetrah...) Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc4CCCCc34)c2=O)cc1 Show InChI InChI=1S/C21H19ClN2O3/c1-26-15-9-11-16(12-10-15)27-20-18(22)13-23-24(21(20)25)19-8-4-6-14-5-2-3-7-17(14)19/h4,6,8-13H,2-3,5,7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	651	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 (2010) BindingDB Entry DOI: 10.7270/Q2GB22HQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM75904 (5-chloranyl-4-(4-methoxyphenoxy)-2-(5,6,7,8-tetrah...) Show SMILES COc1ccc(Oc2c(Cl)cnn(-c3cccc4CCCCc34)c2=O)cc1 Show InChI InChI=1S/C21H19ClN2O3/c1-26-15-9-11-16(12-10-15)27-20-18(22)13-23-24(21(20)25)19-8-4-6-14-5-2-3-7-17(14)19/h4,6,8-13H,2-3,5,7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.10E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M32T72
					More data for this Ligand-Target Pair