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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'zampelli' and Initial = 'e'   
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
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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0.200n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Ability to displace radioligand [125I]Tyr-hU-II from human recombinant Urotensin 2 receptor in CHO-K1 cells


J Med Chem 45: 4391-4 (2002)


Article DOI: 10.1021/jm025549i
BindingDB Entry DOI: 10.7270/Q2FR00C5
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
Ability to displace radioligand [125I]Tyr-hU-II from human recombinant Urotensin 2 receptor in CHO-K1 cells


J Med Chem 45: 4391-4 (2002)


Article DOI: 10.1021/jm025549i
BindingDB Entry DOI: 10.7270/Q2FR00C5
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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PubMed
0.794n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Ability to displace radioligand [125I]Tyr-hU-II from human recombinant Urotensin 2 receptor in CHO-K1 cells


J Med Chem 45: 4391-4 (2002)


Article DOI: 10.1021/jm025549i
BindingDB Entry DOI: 10.7270/Q2FR00C5
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50473964
PNG
(CHEMBL2370836)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(C)(C)SSC1(C)C)C(O)=O
Show InChI InChI=1S/C54H72N10O12S2/c1-29(2)42(52(75)76)62-51(74)44-54(5,6)78-77-53(3,4)43(63-45(68)35(56)27-41(66)67)50(73)61-38(24-30-14-8-7-9-15-30)47(70)60-40(26-32-28-57-36-17-11-10-16-34(32)36)48(71)58-37(18-12-13-23-55)46(69)59-39(49(72)64-44)25-31-19-21-33(65)22-20-31/h7-11,14-17,19-22,28-29,35,37-40,42-44,57,65H,12-13,18,23-27,55-56H2,1-6H3,(H,58,71)(H,59,69)(H,60,70)(H,61,73)(H,62,74)(H,63,68)(H,64,72)(H,66,67)(H,75,76)/t35-,37-,38-,39-,40-,42-,43-,44-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Ability to displace radioligand [125I]Tyr-hU-II from human recombinant Urotensin 2 receptor in CHO-K1 cells


J Med Chem 45: 4391-4 (2002)


Article DOI: 10.1021/jm025549i
BindingDB Entry DOI: 10.7270/Q2FR00C5
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50473965
PNG
(CHEMBL2370837)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC1(C)C)NC(=O)[C@@H](N)CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C52H68N10O12S2/c1-28(2)42(51(73)74)61-50(72)43-52(3,4)76-75-27-40(60-44(66)34(54)25-41(64)65)49(71)58-37(22-29-12-6-5-7-13-29)46(68)59-39(24-31-26-55-35-15-9-8-14-33(31)35)47(69)56-36(16-10-11-21-53)45(67)57-38(48(70)62-43)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,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,66)(H,61,72)(H,62,70)(H,64,65)(H,73,74)/t34-,36-,37-,38-,39-,40+,42-,43-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Ability to displace radioligand [125I]Tyr-hU-II from human recombinant Urotensin 2 receptor in CHO-K1 cells


J Med Chem 45: 4391-4 (2002)


Article DOI: 10.1021/jm025549i
BindingDB Entry DOI: 10.7270/Q2FR00C5
More data for this
Ligand-Target Pair