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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'rigopoulou' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50150940
PNG
(CHEMBL3774617)
Show SMILES CN(C(=O)CNC(=O)\C=C\c1ccc(\C=C\c2ccncc2)nc1)c1ccc(Cl)c(COc2cccc3c(OCc4ccccn4)cc(C)nc23)c1Cl
Show InChI InChI=1S/C41H34Cl2N6O4/c1-27-22-37(52-25-31-6-3-4-19-45-31)32-7-5-8-36(41(32)48-27)53-26-33-34(42)14-15-35(40(33)43)49(2)39(51)24-47-38(50)16-11-29-10-13-30(46-23-29)12-9-28-17-20-44-21-18-28/h3-23H,24-26H2,1-2H3,(H,47,50)/b12-9+,16-11+
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PC sid
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Article
PubMed
n/an/a 0.360n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at bradykinin B2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112948
BindingDB Entry DOI: 10.7270/Q2JW8JM8
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146899
PNG
(4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2...)
Show SMILES CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(OCc5ccccn5)cc(C)nc34)c2Cl)cc1
Show InChI InChI=1S/C37H33Cl2N5O5/c1-23-19-32(48-21-26-7-4-5-18-41-26)27-8-6-9-31(36(27)43-23)49-22-28-29(38)15-16-30(35(28)39)44(3)34(46)20-42-33(45)17-12-24-10-13-25(14-11-24)37(47)40-2/h4-19H,20-22H2,1-3H3,(H,40,47)(H,42,45)/b17-12+
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PC sid
UniChem

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Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at bradykinin B2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112948
BindingDB Entry DOI: 10.7270/Q2JW8JM8
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50146892
PNG
((E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dichlo...)
Show SMILES COc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(NC(C)=O)nc4)c3Cl)cccc2n1Cc1ccccn1
Show InChI InChI=1S/C34H31Cl2N7O5/c1-21(44)40-29-14-10-22(17-38-29)11-15-30(45)39-18-31(46)42(2)26-13-12-25(35)24(32(26)36)20-48-28-9-6-8-27-33(28)41-34(47-3)43(27)19-23-7-4-5-16-37-23/h4-17H,18-20H2,1-3H3,(H,39,45)(H,38,40,44)/b15-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.690n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at bradykinin B2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112948
BindingDB Entry DOI: 10.7270/Q2JW8JM8
More data for this
Ligand-Target Pair