BDBM50314969 2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)pyridine::CHEMBL1091720

SMILES: CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1

InChI Key: InChIKey=WVAKRQOMAINQPU-UHFFFAOYSA-N

Data: 7 IC50  5 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50314969   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	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 (Homo sapiens (Human))	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	47	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))	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	99	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
Bombesin receptor subtype-3 (Mus musculus)	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80	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 (Mus musculus)	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	78	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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Activation of human PXR				ACS Med Chem Lett 2: 43-47 (2011) Article DOI: 10.1021/ml100196d BindingDB Entry DOI: 10.7270/Q26D5T81
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (Homo sapiens (Human))	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	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 GRP-R 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 (RAT)	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	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 rat 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)	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90	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 mouse 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human ERG				ACS Med Chem Lett 2: 43-47 (2011) Article DOI: 10.1021/ml100196d BindingDB Entry DOI: 10.7270/Q26D5T81
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as induction of intracellular calcium mobilization by aequorin bioluminescence ...				ACS Med Chem Lett 2: 43-47 (2011) Article DOI: 10.1021/ml100196d BindingDB Entry DOI: 10.7270/Q26D5T81
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50314969 (2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...) Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	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 NMB-R 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