Compound Detail

CHEMBL437027

BOMBESIN

Phase I

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Phase I

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL437027
Name	BOMBESIN
Phase	Phase I
Structure Type	BOTH
InChI Key	QXZBMSIDSOZZHK-DOPDSADYSA-N

Known Names

Bombesin Bombesin 14

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1619.9

MW (Da)

Drug Information

Molecule Type	Protein
Chirality	Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula	C71H110N24O18S
MW	1619.88

Activity Summary

IC50 6 meas. best 9.66

Ki 6 meas. best 9.82

EC50 1 meas. best 9.59

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Gastrin-releasing peptide receptor CHEMBL4959	Ki	9.82	9.82	0.1	2
Unchecked CHEMBL612545	IC50	9.66	9.27	0.2	4
Gastrin-releasing peptide receptor CHEMBL4959	EC50	9.59	9.59	0.3	1
Unchecked CHEMBL612545	Ki	9.22	8.98	0.6	2
Neuromedin-B receptor CHEMBL3636	Ki	8.7	8.7	2.0	2
Gastrin-releasing peptide receptor CHEMBL4959	IC50	8.7	8.7	2.0	1
Neuropeptide Y receptor type 1 CHEMBL4777	IC50	8.33	8.33	4.7	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Gastrin-releasing peptide receptor	Ki	=	0.15	nM	9.82	In vitro binding affinity at Bombesin BB2 receptor in the presence of [125I]-[Ty...	9873586
Gastrin-releasing peptide receptor	Ki	=	0.15	nM	9.82	Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human GRP(gastrin...	-
Unchecked	IC50	=	0.22	nM	9.66	Binding affinity to bombesin receptor (unknown origin) by radioligand displaceme...	23582449
Gastrin-releasing peptide receptor	EC50	=	0.258	nM	9.59	Displacement of 125I[Tyr4]-bombesin from GRPR expressed in human PC3 cells	18329268
Unchecked	IC50	=	0.34	nM	9.47	Displacement of [125I][Tyr4]bombesin from rat cerebral cortex BB receptor measur...	27876250
Unchecked	Ki	=	0.6	nM	9.22	Binding affinity to bombesin receptor (unknown origin) by radioligand displaceme...	23466604
Unchecked	IC50	=	0.61	nM	9.21	Binding affinity to bombesin receptor (unknown origin) by radioligand displaceme...	23466604
Unchecked	IC50	=	1.8	nM	8.74	Displacement of radiolabeled bombesin from bombesin receptor	18983139
Unchecked	Ki	=	1.8	nM	8.74	Displacement of radiolabeled bombesin from bombesin receptor	18983139
Gastrin-releasing peptide receptor	IC50	=	2.0	nM	8.7	Displacement of [125I]-Tyr4-BBN from human GRPR overexpressed in human T47D cell...	23265893
Neuromedin-B receptor	Ki	=	2.0	nM	8.7	Antagonism of recombinant human bombesin receptor (bb1) labeled with [125I]- [Ty...	9873586
Neuromedin-B receptor	Ki	=	2.0	nM	8.7	Binding affinity against [125 I][4Tyr]-bombesin labeled cloned human NMB recepto...	-
Neuropeptide Y receptor type 1	IC50	=	4.7	nM	8.33	Displacement of [125I]-NPY from Y1 receptor in human MCF7 cells	23265893

Literature References

PubMed	DOI	Target Context	# Activities
18983139	10.1021/jm8007618	Unchecked	2
23466604	10.1016/j.ejmech.2013.01.044	Unchecked	2
9873586	10.1016/s0960-894x(98)00462-4	Neuromedin-B receptor	1
9873586	10.1016/s0960-894x(98)00462-4	Gastrin-releasing peptide receptor	1
-	10.1016/0960-894X(96)00481-7	Neuromedin-B receptor	1
-	10.1016/0960-894X(96)00481-7	Gastrin-releasing peptide receptor	1
18329268	10.1016/j.bmcl.2008.02.051	Gastrin-releasing peptide receptor	1
23265893	10.1016/j.bmcl.2012.11.110	Neuropeptide Y receptor type 1	1
23265893	10.1016/j.bmcl.2012.11.110	Gastrin-releasing peptide receptor	1
23582449	10.1016/j.bmc.2013.03.016	Unchecked	1
27876250	10.1016/j.bmc.2016.11.014	Unchecked	1

Data from ChEMBL 36 via Core Engine