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Compile Data Set for Download or QSAR

Found 1643 hits with Last Name = 'branca' 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
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581548
PNG
(CHEMBL5085124)
Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119|
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0.000600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581547
PNG
(CHEMBL5081349)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97|
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0.000930n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581546
PNG
(CHEMBL5084416)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97|
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0.00239n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581547
PNG
(CHEMBL5081349)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97|
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0.00736n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581545
PNG
(CHEMBL5084902)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCCN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:94|
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0.00813n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581544
PNG
(CHEMBL5086475)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83|
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0.00826n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581544
PNG
(CHEMBL5086475)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83|
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0.00940n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET ultra assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581548
PNG
(CHEMBL5085124)
Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119|
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<0.0100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581546
PNG
(CHEMBL5084416)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97|
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0.0114n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581549
PNG
(CHEMBL5082483)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C/CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,c:83|
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0.0370n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581548
PNG
(CHEMBL5085124)
Show SMILES [H][C@@]12CS[C@@H](CCCCC(=O)NCCOCCOCCC(=O)NC[C@@H]3NC(=O)[C@H](C)NC(=O)CCSCc4cc5CSCCNC(=O)[C@]6(C)CCCN6C(=O)[C@H](Cc6ccc(OC)cc6)NC(=O)[C@@H](NC(=O)[C@@H]6[C@@H]7CCN6C(=O)[C@H](Cc6cn(Cc8cn(nn8)-c(c5)c4)c4ccc(F)cc64)NC(=O)[C@H](Cc4cccc(C\C=C\CO7)c4)NC3=O)[C@H](C)O)[C@]1([H])NC(=O)N2 |r,t:119|
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>0.129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581547
PNG
(CHEMBL5081349)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97|
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>0.129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581545
PNG
(CHEMBL5084902)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCCN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:94|
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>0.129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581544
PNG
(CHEMBL5086475)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CN)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:83|
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>0.129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581546
PNG
(CHEMBL5084416)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@@H]3Cc5cn(Cc6cn(nn6)-c6cc(CSCCNC(=O)[C@]7(C)CCCN7C2=O)cc(CSCCC(=O)N[C@@H](CNC(=O)CCOCCOCC[N+](C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cccc(C\C=C\CO4)c2)C(=O)N3)c6)c2ccc(F)cc52)[C@@H](C)O)cc1 |r,t:97|
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>0.129n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581542
PNG
(CHEMBL5081587)
Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41|
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0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581542
PNG
(CHEMBL5081587)
Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41|
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0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50413761
PNG
(CHEMBL390094)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C52H68N10O12S2/c1-28(2)42(51(73)74)61-49(71)40-27-75-76-52(3,4)43(62-44(66)34(54)25-41(64)65)50(72)59-38(22-29-12-6-5-7-13-29)46(68)58-39(24-31-26-55-35-15-9-8-14-33(31)35)48(70)56-36(16-10-11-21-53)45(67)57-37(47(69)60-40)23-30-17-19-32(63)20-18-30/h5-9,12-15,17-20,26,28,34,36-40,42-43,55,63H,10-11,16,21-25,27,53-54H2,1-4H3,(H,56,70)(H,57,67)(H,58,68)(H,59,72)(H,60,69)(H,61,71)(H,62,66)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40-,42-,43-/m0/s1
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Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581540
PNG
(CHEMBL5087487)
Show SMILES CO[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41|
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0.230n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581537
PNG
(CHEMBL5086286)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(C\C=C\CO4)c3)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)[C@@H](C)O)cc1 |r,t:48|
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0.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50413760
PNG
(CHEMBL426020)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39+,40-,42-/m0/s1
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0.251n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50413764
PNG
(CHEMBL504097)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H72N10O10S2/c1-33(2)47(56(76)77)66-54(74)46-32-78-79-57(3,4)48(67-49(69)40(59)27-34-15-7-5-8-16-34)55(75)64-44(28-35-17-9-6-10-18-35)51(71)63-45(30-37-31-60-41-20-12-11-19-39(37)41)53(73)61-42(21-13-14-26-58)50(70)62-43(52(72)65-46)29-36-22-24-38(68)25-23-36/h5-12,15-20,22-25,31,33,40,42-48,60,68H,13-14,21,26-30,32,58-59H2,1-4H3,(H,61,73)(H,62,70)(H,63,71)(H,64,75)(H,65,72)(H,66,74)(H,67,69)(H,76,77)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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0.282n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581535
PNG
(CHEMBL5091040)
Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41|
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0.390n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581537
PNG
(CHEMBL5086286)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3[C@@H]4CCN3C(=O)[C@H](Cc3c[nH]c5ccc(F)cc35)NC(=O)[C@H](Cc3cccc(C\C=C\CO4)c3)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)[C@@H](C)O)cc1 |r,t:48|
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0.430n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581540
PNG
(CHEMBL5087487)
Show SMILES CO[C@@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@H](C)NC(=O)[C@H](CN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41|
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0.450n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581535
PNG
(CHEMBL5091040)
Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C\CO3)c2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,t:41|
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0.480n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50413762
PNG
(CHEMBL509604)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C51H68N10O10S2/c1-28(2)41(50(70)71)60-48(68)40-27-72-73-51(4,5)42(61-43(63)29(3)53)49(69)58-38(23-30-13-7-6-8-14-30)45(65)57-39(25-32-26-54-35-16-10-9-15-34(32)35)47(67)55-36(17-11-12-22-52)44(64)56-37(46(66)59-40)24-31-18-20-33(62)21-19-31/h6-10,13-16,18-21,26,28-29,36-42,54,62H,11-12,17,22-25,27,52-53H2,1-5H3,(H,55,67)(H,56,64)(H,57,65)(H,58,69)(H,59,66)(H,60,68)(H,61,63)(H,70,71)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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0.794n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50378580
PNG
(CHEMBL437430)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)/t34-,40+,42-,43-,44+,45+,46+,47-,48+,49-,52+,53+/m1/s1
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0.794n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50413766
PNG
(CHEMBL510618)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C57H71ClN10O10S2/c1-32(2)47(56(77)78)67-54(75)46-31-79-80-57(3,4)48(68-49(70)40(60)26-34-17-21-37(58)22-18-34)55(76)65-44(27-33-12-6-5-7-13-33)51(72)64-45(29-36-30-61-41-15-9-8-14-39(36)41)53(74)62-42(16-10-11-25-59)50(71)63-43(52(73)66-46)28-35-19-23-38(69)24-20-35/h5-9,12-15,17-24,30,32,40,42-48,61,69H,10-11,16,25-29,31,59-60H2,1-4H3,(H,62,74)(H,63,71)(H,64,72)(H,65,76)(H,66,73)(H,67,75)(H,68,70)(H,77,78)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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0.891n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581543
PNG
(CHEMBL5094648)
Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C/CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,c:41|
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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554754
PNG
(CHEMBL4790764)
Show SMILES [H][C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3cn(Cc4cn(nn4)-c4cc(CSCCNC(=O)[C@]5(C)CCCN5C(=O)[C@H](Cc5ccc(OC)cc5)NC1=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c5ccc(F)cc15)C(=O)N2)c4)c1ccc(F)cc31)[C@@H](C)O |r|
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554754
PNG
(CHEMBL4790764)
Show SMILES [H][C@]1(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3cn(Cc4cn(nn4)-c4cc(CSCCNC(=O)[C@]5(C)CCCN5C(=O)[C@H](Cc5ccc(OC)cc5)NC1=O)cc(CSCCC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c5ccc(F)cc15)C(=O)N2)c4)c1ccc(F)cc31)[C@@H](C)O |r|
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1.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554755
PNG
(CHEMBL4782157)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CCC(=O)NCc4cccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc5cccc(CSCCNC(=O)[C@]6(C)CCCN6C2=O)c5)C(=O)N[C@@H](Cc2c[nH]c5ccc(F)cc25)C(=O)N3)c4)[C@@H](C)O)cc1 |r|
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554734
PNG
(CHEMBL4761415 | US11530244, Compound 289)
Show SMILES C[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cc(F)cc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC1=O)c2 |r|
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50413763
PNG
(CHEMBL448403)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H66N10O10S2/c1-27(2)40(49(69)70)59-47(67)39-26-71-72-50(4,5)41(60-42(62)28(3)52)48(68)57-37(22-29-12-7-6-8-13-29)44(64)56-38(24-31-25-53-34-15-10-9-14-33(31)34)46(66)54-35(16-11-21-51)43(63)55-36(45(65)58-39)23-30-17-19-32(61)20-18-30/h6-10,12-15,17-20,25,27-28,35-41,53,61H,11,16,21-24,26,51-52H2,1-5H3,(H,54,66)(H,55,63)(H,56,64)(H,57,68)(H,58,65)(H,59,67)(H,60,62)(H,69,70)/t28-,35-,36-,37-,38+,39-,40-,41-/m0/s1
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1.66n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50517320
PNG
(CHEMBL4568153)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)60-48(69)40-27-75-74-26-39(58-44(65)34(53)24-42(63)64)47(68)57-38(22-29-11-5-4-6-12-29)50(71)61(3)41(23-31-25-54-35-14-8-7-13-33(31)35)49(70)55-36(15-9-10-20-52)45(66)56-37(46(67)59-40)21-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,34,36-41,43,54,62H,9-10,15,20-24,26-27,52-53H2,1-3H3,(H,55,70)(H,56,66)(H,57,68)(H,58,65)(H,59,67)(H,60,69)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...


J Med Chem 62: 1455-1467 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01601
BindingDB Entry DOI: 10.7270/Q2PV6PRV
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50517327
PNG
(CHEMBL4472928)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)42(50(69)70)59-47(66)40-26-71-72-27-41(60(4)49(68)29(3)52)48(67)57-38(22-30-12-6-5-7-13-30)44(63)56-39(24-32-25-53-35-15-9-8-14-34(32)35)46(65)54-36(16-10-11-21-51)43(62)55-37(45(64)58-40)23-31-17-19-33(61)20-18-31/h5-9,12-15,17-20,25,28-29,36-42,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,65)(H,55,62)(H,56,63)(H,57,67)(H,58,64)(H,59,66)(H,69,70)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...


J Med Chem 62: 1455-1467 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01601
BindingDB Entry DOI: 10.7270/Q2PV6PRV
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554743
PNG
(CHEMBL4759174)
Show SMILES [H][C@@]12C[C@H](F)CN1C(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@H](Cc1c[nH]c3ccc(F)cc13)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCSCc1cccc(CSC[C@H](NC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](NC2=O)[C@@H](C)O)C(N)=O)c1 |r|
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581539
PNG
(CHEMBL5084586)
Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(CCCCO3)c2)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r|
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2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50517312
PNG
(CHEMBL4526244)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)42(50(69)70)59-47(66)40-27-72-71-26-39(57-43(62)29(3)52)46(65)56-38(23-30-12-6-5-7-13-30)49(68)60(4)41(24-32-25-53-35-15-9-8-14-34(32)35)48(67)54-36(16-10-11-21-51)44(63)55-37(45(64)58-40)22-31-17-19-33(61)20-18-31/h5-9,12-15,17-20,25,28-29,36-42,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,67)(H,55,63)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,69,70)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...


J Med Chem 62: 1455-1467 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01601
BindingDB Entry DOI: 10.7270/Q2PV6PRV
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50581543
PNG
(CHEMBL5094648)
Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H]3CCN2C(=O)[C@H](Cc2c[nH]c4ccc(F)cc24)NC(=O)[C@H](Cc2cccc(C\C=C/CO3)c2)NC(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(OC)cc3)NC1=O)c2 |r,c:41|
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2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human PCSK9 using Alexa Fluor 674 as substrate incubated for 2 hrs by FRET plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01599
BindingDB Entry DOI: 10.7270/Q2TM7G0Q
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50413777
PNG
(CHEMBL524855)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C58H72N10O10S2/c1-33(2)48(57(77)78)67-55(75)47-32-79-80-58(3,4)49(68-51(71)43-28-36-16-8-9-17-37(36)30-61-43)56(76)65-45(26-34-14-6-5-7-15-34)52(72)64-46(29-38-31-60-41-19-11-10-18-40(38)41)54(74)62-42(20-12-13-25-59)50(70)63-44(53(73)66-47)27-35-21-23-39(69)24-22-35/h5-11,14-19,21-24,31,33,42-49,60-61,69H,12-13,20,25-30,32,59H2,1-4H3,(H,62,74)(H,63,70)(H,64,72)(H,65,76)(H,66,73)(H,67,75)(H,68,71)(H,77,78)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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2.63n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554736
PNG
(CHEMBL4789838)
Show SMILES CCC[C@H]1NC(=O)[C@H](CCCCN)NC(=O)CCSCc2cccc(CSCCNC(=O)[C@]3(C)CCCN3C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC1=O)c2 |r|
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2.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554760
PNG
(CHEMBL4798026)
Show SMILES CO[C@H](C)[C@@H]1NC(=O)[C@@H]2CCC(=O)NCc3cccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc4cccc(CSCCNC(=O)[C@]5(C)CCCN5C(=O)[C@H](Cc5ccc(OC)cc5)NC1=O)c4)C(=O)NC(Cc1ccnc4ccc(F)cc14)C(=O)N2C)c3 |r|
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2.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50517325
PNG
(CHEMBL4590360)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)60-48(69)40-26-74-75-27-41(61(3)50(71)34(53)24-42(63)64)49(70)58-38(21-29-11-5-4-6-12-29)45(66)57-39(23-31-25-54-35-14-8-7-13-33(31)35)47(68)55-36(15-9-10-20-52)44(65)56-37(46(67)59-40)22-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,34,36-41,43,54,62H,9-10,15,20-24,26-27,52-53H2,1-3H3,(H,55,68)(H,56,65)(H,57,66)(H,58,70)(H,59,67)(H,60,69)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...


J Med Chem 62: 1455-1467 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01601
BindingDB Entry DOI: 10.7270/Q2PV6PRV
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50517315
PNG
(CHEMBL4454498)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(O)=O |r|
Show InChI InChI=1S/C51H66N10O12S2/c1-28(2)43(51(72)73)60-49(70)41-27-75-74-26-40(59-44(65)34(53)24-42(63)64)48(69)56-37(21-29-11-5-4-6-12-29)46(67)57-38(23-31-25-54-35-14-8-7-13-33(31)35)47(68)55-36(15-9-10-20-52)45(66)58-39(50(71)61(41)3)22-30-16-18-32(62)19-17-30/h4-8,11-14,16-19,25,28,34,36-41,43,54,62H,9-10,15,20-24,26-27,52-53H2,1-3H3,(H,55,68)(H,56,69)(H,57,67)(H,58,66)(H,59,65)(H,60,70)(H,63,64)(H,72,73)/t34-,36-,37-,38-,39-,40-,41-,43-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...


J Med Chem 62: 1455-1467 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01601
BindingDB Entry DOI: 10.7270/Q2PV6PRV
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50517316
PNG
(CHEMBL4462940)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(O)=O |r|
Show InChI InChI=1S/C50H66N10O10S2/c1-28(2)42(50(69)70)59-48(67)41-27-72-71-26-40(58-43(62)29(3)52)47(66)55-37(22-30-12-6-5-7-13-30)45(64)56-38(24-32-25-53-35-15-9-8-14-34(32)35)46(65)54-36(16-10-11-21-51)44(63)57-39(49(68)60(41)4)23-31-17-19-33(61)20-18-31/h5-9,12-15,17-20,25,28-29,36-42,53,61H,10-11,16,21-24,26-27,51-52H2,1-4H3,(H,54,65)(H,55,66)(H,56,64)(H,57,63)(H,58,62)(H,59,67)(H,69,70)/t29-,36-,37-,38-,39-,40-,41-,42-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Naples "Federico II"

Curated by ChEMBL


Assay Description
Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...


J Med Chem 62: 1455-1467 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01601
BindingDB Entry DOI: 10.7270/Q2PV6PRV
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50413769
PNG
(CHEMBL507406)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2cccc3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C60H72N10O10S2/c1-34(2)50(59(79)80)69-57(77)49-33-81-82-60(3,4)51(70-52(72)43(62)30-38-18-12-17-37-16-8-9-19-41(37)38)58(78)67-47(28-35-14-6-5-7-15-35)54(74)66-48(31-39-32-63-44-21-11-10-20-42(39)44)56(76)64-45(22-13-27-61)53(73)65-46(55(75)68-49)29-36-23-25-40(71)26-24-36/h5-12,14-21,23-26,32,34,43,45-51,63,71H,13,22,27-31,33,61-62H2,1-4H3,(H,64,76)(H,65,73)(H,66,74)(H,67,78)(H,68,75)(H,69,77)(H,70,72)(H,79,80)/t43-,45-,46-,47-,48+,49-,50-,51-/m0/s1
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3.89n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting


J Med Chem 52: 3927-40 (2009)


Article DOI: 10.1021/jm900148c
BindingDB Entry DOI: 10.7270/Q27W6DFT
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554735
PNG
(CHEMBL4742833)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@H](Cc3c[nH]c4ccc(F)cc34)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CCSCc3cccc(CSCCNC(=O)[C@]4(C)CCCN4C2=O)c3)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair
Proprotein convertase subtilisin/kexin type 9


(Homo sapiens (Human))
BDBM50554759
PNG
(CHEMBL4745053)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CCCCC(=O)NCc4cccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCSCc5cccc(CSCCNC(=O)[C@]6(C)CCCN6C2=O)c5)C(=O)N[C@@H](Cc2c[nH]c5ccc(F)cc25)C(=O)N3)c4)[C@@H](C)O)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AlexaFluor647-tagged cyclic peptide binding to avi-tagged-biotinylated human PCSK9 measured after 2 hrs by Lance Streptavidin Europium ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01084
BindingDB Entry DOI: 10.7270/Q23N272N
More data for this
Ligand-Target Pair
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