BindingDB logo
myBDB logout

BDBM50313751 4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid::4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylicacid::4'-(2-(5-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid::CHEMBL1089721

SMILES: CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1

InChI Key: InChIKey=AXHVEQQLKVIZLO-UHFFFAOYSA-N

Data: 2 IC50  8 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 10 hits for monomerid = 50313751   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bombesin receptor subtype-3


(Mus musculus)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 9.60n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at mouse BRS3


Bioorg Med Chem Lett 20: 2912-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.028
BindingDB Entry DOI: 10.7270/Q2416X7S
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human BRS3


Bioorg Med Chem Lett 20: 2912-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.028
BindingDB Entry DOI: 10.7270/Q2416X7S
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Agonist activity at human BRS3


Bioorg Med Chem Lett 20: 2912-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.028
BindingDB Entry DOI: 10.7270/Q2416X7S
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/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)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 9.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at mouse BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 101n/an/an/an/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)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 9.60n/an/an/an/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)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 94n/an/an/an/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
BRS3


(HUMAN)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity at human BRS3 expressed in HEK293AEO cells by aequorin bioluminescence assay


Bioorg Med Chem Lett 20: 1913-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.154
BindingDB Entry DOI: 10.7270/Q2M045KD
More data for this
Ligand-Target Pair
BRS3


(HUMAN)
BDBM50313751
PNG
(4'-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethy...)
Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccc2C(O)=O)[nH]1
Show InChI InChI=1S/C24H28N2O2/c1-4-24(2,3)15-19-16-25-22(26-19)14-11-17-9-12-18(13-10-17)20-7-5-6-8-21(20)23(27)28/h5-10,12-13,16H,4,11,14-15H2,1-3H3,(H,25,26)(H,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/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