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SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O

InChI Key: InChIKey=JKORGGRFHONGKP-LUWDTFEBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50408812   
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
B1 bradykinin receptor


(RAT)
BDBM50408812
PNG
(CHEMBL339159)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O
Show InChI InChI=1S/C47H76N10O9/c1-4-31(2)41(46(65)66)57-44(63)38(29-33-23-24-34-18-12-13-19-35(34)28-33)56-45(64)39(30-58)54-40(60)22-11-9-7-5-6-8-10-16-26-51-42(61)36(21-17-27-52-47(49)50)55-43(62)37(53-32(3)59)20-14-15-25-48/h12-13,18-19,23-24,28,31,36-39,41,58H,4-11,14-17,20-22,25-27,29-30,48H2,1-3H3,(H,51,61)(H,53,59)(H,54,60)(H,55,62)(H,56,64)(H,57,63)(H,65,66)(H4,49,50,52)/t31-,36-,37-,38+,39-,41-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)


Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Cavia porcellus)
BDBM50408812
PNG
(CHEMBL339159)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O
Show InChI InChI=1S/C47H76N10O9/c1-4-31(2)41(46(65)66)57-44(63)38(29-33-23-24-34-18-12-13-19-35(34)28-33)56-45(64)39(30-58)54-40(60)22-11-9-7-5-6-8-10-16-26-51-42(61)36(21-17-27-52-47(49)50)55-43(62)37(53-32(3)59)20-14-15-25-48/h12-13,18-19,23-24,28,31,36-39,41,58H,4-11,14-17,20-22,25-27,29-30,48H2,1-3H3,(H,51,61)(H,53,59)(H,54,60)(H,55,62)(H,56,64)(H,57,63)(H,65,66)(H4,49,50,52)/t31-,36-,37-,38+,39-,41-/m0/s1
MMDB

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UniChem

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Article
PubMed
n/an/an/a 1.26E+3n/an/an/an/an/a



Institute of Mutagenesis and Differentiation

Curated by ChEMBL


Assay Description
Antagonistic activity against Bradykinin receptor B2 of guinea pig ileum longitudinal smooth muscle.


J Med Chem 42: 409-14 (1999)


Article DOI: 10.1021/jm980495r
BindingDB Entry DOI: 10.7270/Q25B03Q8
More data for this
Ligand-Target Pair