Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.4 BDBM50314966

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
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM50314966 (3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2C(O)=O)[nH]1 Show InChI InChI=1S/C23H27N3O2/c1-4-23(2,3)14-18-15-25-20(26-18)12-9-16-7-10-17(11-8-16)19-6-5-13-24-21(19)22(27)28/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,25,26)(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 20: 2074-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.076 BindingDB Entry DOI: 10.7270/Q2XW4JX6
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Mus musculus)	BDBM50314966 (3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2C(O)=O)[nH]1 Show InChI InChI=1S/C23H27N3O2/c1-4-23(2,3)14-18-15-25-20(26-18)12-9-16-7-10-17(11-8-16)19-6-5-13-24-21(19)22(27)28/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,25,26)(H,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	97	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay relative to D-Tyr6-betaAla1...				Bioorg Med Chem Lett 20: 2074-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.076 BindingDB Entry DOI: 10.7270/Q2XW4JX6
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Mus musculus)	BDBM50314966 (3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2C(O)=O)[nH]1 Show InChI InChI=1S/C23H27N3O2/c1-4-23(2,3)14-18-15-25-20(26-18)12-9-16-7-10-17(11-8-16)19-6-5-13-24-21(19)22(27)28/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,25,26)(H,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at mouse BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay				Bioorg Med Chem Lett 20: 2074-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.076 BindingDB Entry DOI: 10.7270/Q2XW4JX6
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM50314966 (3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2C(O)=O)[nH]1 Show InChI InChI=1S/C23H27N3O2/c1-4-23(2,3)14-18-15-25-20(26-18)12-9-16-7-10-17(11-8-16)19-6-5-13-24-21(19)22(27)28/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,25,26)(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay				Bioorg Med Chem Lett 20: 2074-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.076 BindingDB Entry DOI: 10.7270/Q2XW4JX6
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM50314966 (3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2cccnc2C(O)=O)[nH]1 Show InChI InChI=1S/C23H27N3O2/c1-4-23(2,3)14-18-15-25-20(26-18)12-9-16-7-10-17(11-8-16)19-6-5-13-24-21(19)22(27)28/h5-8,10-11,13,15H,4,9,12,14H2,1-3H3,(H,25,26)(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	95	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human BRS-3 expressed in HEK293 cells coexpressing AEQ over 10 mins by aequorin bioluminescence assay relative to D-Tyr6-betaAla1...				Bioorg Med Chem Lett 20: 2074-7 (2010) Article DOI: 10.1016/j.bmcl.2010.02.076 BindingDB Entry DOI: 10.7270/Q2XW4JX6
					More data for this Ligand-Target Pair