Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.4 BDBM50447492

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

Found 4 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))	BDBM50447492 (CHEMBL3115373) Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-7-19(13-28-15)32-18-4-2-3-16(11-18)12-21(31)30-10-9-27-22-17(14-30)6-8-20(29-22)23(24,25)26/h2-8,11,13H,9-10,12,14H2,1H3,(H,27,29)	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	9.5	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human BRS3 expressed in CHO-K1 cells by IP-One HTRF assay				Bioorg Med Chem 23: 89-104 (2014) Article DOI: 10.1016/j.bmc.2014.11.018 BindingDB Entry DOI: 10.7270/Q2VT1TPX
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM50447492 (CHEMBL3115373) Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-7-19(13-28-15)32-18-4-2-3-16(11-18)12-21(31)30-10-9-27-22-17(14-30)6-8-20(29-22)23(24,25)26/h2-8,11,13H,9-10,12,14H2,1H3,(H,27,29)	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	9.5	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)	BDBM50447492 (CHEMBL3115373) Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-7-19(13-28-15)32-18-4-2-3-16(11-18)12-21(31)30-10-9-27-22-17(14-30)6-8-20(29-22)23(24,25)26/h2-8,11,13H,9-10,12,14H2,1H3,(H,27,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	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
Bombesin receptor subtype-3 (Mus musculus)	BDBM50447492 (CHEMBL3115373) Show SMILES Cc1ccc(Oc2cccc(CC(=O)N3CCNc4nc(ccc4C3)C(F)(F)F)c2)cn1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-7-19(13-28-15)32-18-4-2-3-16(11-18)12-21(31)30-10-9-27-22-17(14-30)6-8-20(29-22)23(24,25)26/h2-8,11,13H,9-10,12,14H2,1H3,(H,27,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at mouse BRS3 expressed in CHO-K1 cells by IP-One HTRF assay				Bioorg Med Chem 23: 89-104 (2014) Article DOI: 10.1016/j.bmc.2014.11.018 BindingDB Entry DOI: 10.7270/Q2VT1TPX
					More data for this Ligand-Target Pair