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Compound Detail

CHEMBL406291

BRADYKININ
🧪 Phase II
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🧪 Phase II
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406291
Name BRADYKININ
Phase Phase II
Structure Type BOTH
InChI Key QXZGBUJJYSLZLT-FDISYFBBSA-N

Known Names

Bradykinin BRS-640 Callidin i Kallidin i Kallidin-9
4
Targets
14
Activities
3
Assay Types
4
PK Parameters
20
Publications
5
Known Names

Molecular Properties

1060.2
MW (Da)

Drug Information

Molecule Type Protein
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C50H73N15O11
MW 1060.23

Activity Summary

Ki 7 meas. best 10.19
IC50 5 meas. best 11.0
EC50 2 meas. best 10.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 11.0 9.94 0.0 4
B2 bradykinin receptor
CHEMBL3157
 EC50 10.31 10.31 0.0 1
B2 bradykinin receptor
CHEMBL3157
 Ki 10.19 9.494 0.1 5
Unchecked
CHEMBL612545
 Ki 9.58 9.58 0.3 1
B2 bradykinin receptor
CHEMBL2501
 Ki 9.34 9.34 0.5 1
Olfactory receptor 51E2
CHEMBL4523454
 EC50 8.89 8.89 1.3 1
B2 bradykinin receptor
CHEMBL3157
 IC50 8.74 8.74 1.8 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.45 hr Homo sapiens
T1/2 0.13 hr Rattus norvegicus
T1/2 0.05 hr Sus scrofa
T1/2 0.05 hr Sus scrofa

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.01 nM 11.0 Inhibitory activity against high affinity binding site of Bradykinin receptor in... 8632416
Unchecked IC50 = 0.01 nM 11.0 Inhibitory activity against high affinity binding site of Bradykinin receptor in... 8632416
B2 bradykinin receptor EC50 = 0.04898 nM 10.31 Antagonist activity at human recombinant bradykinin 2 receptor expressed in CHO ... 19473027
B2 bradykinin receptor Ki = 0.065 nM 10.19 Binding affinity towards human cloned Bradykinin receptor B2 expressed in CHO ce... 10514289
B2 bradykinin receptor Ki = 0.11 nM 9.96 Ability to bind to human cloned B2 receptor in competition binding experiments w... 10882364
Unchecked Ki = 0.263 nM 9.58 Binding affinity towards bradykinin receptor using [3H]BK as radioligand in guin... 8691478
B2 bradykinin receptor Ki = 0.46 nM 9.34 Binding affinity against rat Bradykinin receptor B2 expressed in CHO cells using... 10514288
B2 bradykinin receptor Ki = 0.65 nM 9.19 Binding affinity against human cloned Bradykinin receptor B2 expressed in CHO ce... 10514288
B2 bradykinin receptor Ki = 0.6761 nM 9.17 Binding affinity towards Bradykinin receptor B2 in human S34 clone cells 8691478
Unchecked IC50 = 1.0 nM 9.0 Inhibitory activity against low affinity binding site of Bradykinin receptor in ... 8632416
B2 bradykinin receptor Ki = 1.1 nM 8.96 Displacement of [3H]Bradykinin from human recombinant bradykinin B2 receptor exp... 23403082
Olfactory receptor 51E2 EC50 = 1.3 nM 8.89 Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... -
Unchecked IC50 = 1.75 nM 8.76 Inhibitory activity against low affinity binding site of Bradykinin receptor in ... 8632416
B2 bradykinin receptor IC50 = 1.8 nM 8.74 Displacement of [3H]Bradykinin from human recombinant bradykinin B2 receptor exp... 23403082

Literature References

PubMed DOI Target Context # Activities
8632416 10.1021/jm9301954 Unchecked 5
8632416 10.1021/jm9301954 Cavia porcellus 4
6118437 10.1021/jm00144a008 B2 bradykinin receptor 3
23403082 10.1016/j.bmcl.2013.01.025 B2 bradykinin receptor 3
6699878 10.1021/jm00369a017 Unchecked 3
8632416 10.1021/jm9301954 Rattus norvegicus 3
10514288 10.1021/jm9901529 Homo sapiens 2
10882364 10.1021/jm990961s Homo sapiens 2
19473027 10.1021/jm900604g B2 bradykinin receptor 2
8691478 10.1021/jm950716i Sus scrofa 2
10514289 10.1021/jm9901531 Homo sapiens 2
6106062 10.1021/jm00183a002 Rattus norvegicus 2
10514288 10.1021/jm9901529 Rattus norvegicus 2
10514288 10.1021/jm9901529 B2 bradykinin receptor 2
10514289 10.1021/jm9901531 B2 bradykinin receptor 1
7401103 10.1021/jm00181a012 Cavia porcellus 1
8691478 10.1021/jm950716i Unchecked 1
- 10.6019/CHEMBL5665443 Uracil-DNA glycosylase 1
8691478 10.1021/jm950716i Homo sapiens 1
8691478 10.1021/jm950716i Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine