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SMILES: N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@H](C[C@H]2CCCC[C@@H]12)C(O)=O

InChI Key: InChIKey=NJIWDPIEEUPLLQ-GRVYSENZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50408801   
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)
BDBM50408801
PNG
(CHEMBL337833)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@H](C[C@H]2CCCC[C@@H]12)C(O)=O
Show InChI InChI=1S/C46H76N12O8/c47-33(18-13-23-53-45(48)49)40(61)56-34(19-14-24-54-46(50)51)41(62)52-22-12-6-4-2-1-3-5-7-21-38(60)55-35(28-59)42(63)57-39(32-25-29-15-8-9-16-30(29)26-32)43(64)58-36-20-11-10-17-31(36)27-37(58)44(65)66/h8-9,15-16,31-37,39,59H,1-7,10-14,17-28,47H2,(H,52,62)(H,55,60)(H,56,61)(H,57,63)(H,65,66)(H4,48,49,53)(H4,50,51,54)/t31-,33-,34+,35+,36-,37-,39-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 501n/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)
BDBM50408801
PNG
(CHEMBL337833)
Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@H](C[C@H]2CCCC[C@@H]12)C(O)=O
Show InChI InChI=1S/C46H76N12O8/c47-33(18-13-23-53-45(48)49)40(61)56-34(19-14-24-54-46(50)51)41(62)52-22-12-6-4-2-1-3-5-7-21-38(60)55-35(28-59)42(63)57-39(32-25-29-15-8-9-16-30(29)26-32)43(64)58-36-20-11-10-17-31(36)27-37(58)44(65)66/h8-9,15-16,31-37,39,59H,1-7,10-14,17-28,47H2,(H,52,62)(H,55,60)(H,56,61)(H,57,63)(H,65,66)(H4,48,49,53)(H4,50,51,54)/t31-,33-,34+,35+,36-,37-,39-/m1/s1
MMDB

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UniChem

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Article
PubMed
n/an/an/a 1.00E+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