Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.4 BDBM50447482

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

Found 2 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
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM50447482 (CHEMBL3115383) Show SMILES OC(=O)C1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C24H20F3N3O4/c25-24(26,27)19-10-9-18-21(23(32)33)30(12-11-28-22(18)29-19)20(31)14-15-5-4-8-17(13-15)34-16-6-2-1-3-7-16/h1-10,13,21H,11-12,14H2,(H,28,29)(H,32,33)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay				Bioorg Med Chem Lett 24: 750-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.106 BindingDB Entry DOI: 10.7270/Q2J967WH
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Mus musculus)	BDBM50447482 (CHEMBL3115383) Show SMILES OC(=O)C1N(CCNc2nc(ccc12)C(F)(F)F)C(=O)Cc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C24H20F3N3O4/c25-24(26,27)19-10-9-18-21(23(32)33)30(12-11-28-22(18)29-19)20(31)14-15-5-4-8-17(13-15)34-16-6-2-1-3-7-16/h1-10,13,21H,11-12,14H2,(H,28,29)(H,32,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at mouse BRS-3 expressed in CHOK1 cells after 1 hr by HTRF assay				Bioorg Med Chem Lett 24: 750-5 (2014) Article DOI: 10.1016/j.bmcl.2013.12.106 BindingDB Entry DOI: 10.7270/Q2J967WH
					More data for this Ligand-Target Pair