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Compile Data Set for Download or QSAR

Found 22 hits from Aventis Pharma Germany GmbH   
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
Urotensin II receptor


(HUMAN)
BDBM50112103
PNG
(CHEMBL216349 | Pro-Asp-Cys-Phe-Trp-Lys-Tyr-Cys-Val)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1)C(O)=O
Show InChI InChI=1S/C55H73N11O13S2/c1-30(2)46(55(78)79)66-54(77)44(29-81)65-50(73)40(24-32-17-19-34(67)20-18-32)60-48(71)38(15-8-9-21-56)59-51(74)41(25-33-27-58-36-14-7-6-13-35(33)36)62-49(72)39(23-31-11-4-3-5-12-31)61-53(76)43(28-80)64-52(75)42(26-45(68)69)63-47(70)37-16-10-22-57-37/h3-7,11-14,17-20,27,30,37-44,46,57-58,67,80-81H,8-10,15-16,21-26,28-29,56H2,1-2H3,(H,59,74)(H,60,71)(H,61,76)(H,62,72)(H,63,70)(H,64,75)(H,65,73)(H,66,77)(H,68,69)(H,78,79)/t37-,38+,39+,40+,41+,42+,43+,44+,46+/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112123
PNG
(CHEMBL408106 | Glu-Thr-Pro-Asp-Cys-Phe-Trp-Lys-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C64H87N13O18S2/c1-33(2)52(64(94)95)75-61(91)48(32-97)74-57(87)44(27-36-18-20-38(79)21-19-36)69-55(85)42(16-9-10-24-65)68-58(88)45(28-37-30-67-41-15-8-7-14-39(37)41)71-56(86)43(26-35-12-5-4-6-13-35)70-60(90)47(31-96)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/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79,96-97H,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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n/an/an/an/a 2.5n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112102
PNG
(CHEMBL386634 | Glu-Thr-Pro-Asp-Cys-Phe-Lys-Tyr-Cys...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C53H77N11O17S2/c1-27(2)42(53(80)81)62-50(77)38(26-83)61-47(74)35(23-30-14-16-31(66)17-15-30)57-45(72)33(12-7-8-20-54)56-46(73)34(22-29-10-5-4-6-11-29)58-49(76)37(25-82)60-48(75)36(24-41(69)70)59-51(78)39-13-9-21-64(39)52(79)43(28(3)65)63-44(71)32(55)18-19-40(67)68/h4-6,10-11,14-17,27-28,32-39,42-43,65-66,82-83H,7-9,12-13,18-26,54-55H2,1-3H3,(H,56,73)(H,57,72)(H,58,76)(H,59,78)(H,60,75)(H,61,74)(H,62,77)(H,63,71)(H,67,68)(H,69,70)(H,80,81)/t28-,32+,33+,34+,35+,36+,37+,38+,39-,42+,43+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112105
PNG
(CHEMBL437036 | Glu-Thr-Pro-Asp-Cys-Phe-Trp-Lys-Tyr...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C62H83N13O18S2/c1-32(62(92)93)66-58(88)46(30-94)72-55(85)43(26-35-17-19-37(77)20-18-35)68-53(83)41(15-8-9-23-63)67-56(86)44(27-36-29-65-40-14-7-6-13-38(36)40)70-54(84)42(25-34-11-4-3-5-12-34)69-59(89)47(31-95)73-57(87)45(28-50(80)81)71-60(90)48-16-10-24-75(48)61(91)51(33(2)76)74-52(82)39(64)21-22-49(78)79/h3-7,11-14,17-20,29,32-33,39,41-48,51,65,76-77,94-95H,8-10,15-16,21-28,30-31,63-64H2,1-2H3,(H,66,88)(H,67,86)(H,68,83)(H,69,89)(H,70,84)(H,71,90)(H,72,85)(H,73,87)(H,74,82)(H,78,79)(H,80,81)(H,92,93)/t32?,33-,39+,41+,42+,43+,44+,45+,46+,47+,48-,51+/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112106
PNG
(CHEMBL406590 | Glu-Thr-Pro-Asp-Cys-D-Phe-Trp-Lys-T...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C64H87N13O18S2/c1-33(2)52(64(94)95)75-61(91)48(32-97)74-57(87)44(27-36-18-20-38(79)21-19-36)69-55(85)42(16-9-10-24-65)68-58(88)45(28-37-30-67-41-15-8-7-14-39(37)41)71-56(86)43(26-35-12-5-4-6-13-35)70-60(90)47(31-96)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/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79,96-97H,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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n/an/an/an/a 1.00E+3n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112107
PNG
(CHEMBL385616 | Glu-Thr-Pro-Asp-Cys-Phe-Trp-Lys-Tyr...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O
Show InChI InChI=1S/C59H78N12O17S2/c1-31(72)49(70-50(78)37(61)20-21-47(74)75)58(86)71-23-9-15-46(71)57(85)67-43(27-48(76)77)55(83)68-44(29-89)56(84)65-40(24-32-10-3-2-4-11-32)52(80)66-42(26-34-28-62-38-13-6-5-12-36(34)38)54(82)63-39(14-7-8-22-60)51(79)64-41(25-33-16-18-35(73)19-17-33)53(81)69-45(30-90)59(87)88/h2-6,10-13,16-19,28,31,37,39-46,49,62,72-73,89-90H,7-9,14-15,20-27,29-30,60-61H2,1H3,(H,63,82)(H,64,79)(H,65,84)(H,66,80)(H,67,85)(H,68,83)(H,69,81)(H,70,78)(H,74,75)(H,76,77)(H,87,88)/t31-,37+,39+,40+,41+,42+,43+,44+,45+,46-,49+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112108
PNG
(CHEMBL413078 | Glu-Thr-Pro-Asp-Ala-Phe-Trp-Lys-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C64H87N13O18S/c1-33(2)52(64(94)95)75-61(91)48(32-96)74-59(89)45(28-37-19-21-39(79)22-20-37)71-56(86)43(17-10-11-25-65)69-60(90)46(29-38-31-67-42-16-9-8-15-40(38)42)72-58(88)44(27-36-13-6-5-7-14-36)70-54(84)34(3)68-57(87)47(30-51(82)83)73-62(92)49-18-12-26-77(49)63(93)53(35(4)78)76-55(85)41(66)23-24-50(80)81/h5-9,13-16,19-22,31,33-35,41,43-49,52-53,67,78-79,96H,10-12,17-18,23-30,32,65-66H2,1-4H3,(H,68,87)(H,69,90)(H,70,84)(H,71,86)(H,72,88)(H,73,92)(H,74,89)(H,75,91)(H,76,85)(H,80,81)(H,82,83)(H,94,95)/t34?,35-,41+,43+,44+,45+,46+,47+,48+,49-,52+,53+/m1/s1
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n/an/an/an/a 233n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112110
PNG
(CHEMBL436891 | Glu-Thr-Ala-Asp-Cys-Phe-Trp-Lys-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)C(C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C62H85N13O18S2/c1-31(2)50(62(92)93)74-60(90)47(30-95)73-56(86)43(25-35-17-19-37(77)20-18-35)69-54(84)41(16-10-11-23-63)67-57(87)44(26-36-28-65-40-15-9-8-14-38(36)40)71-55(85)42(24-34-12-6-5-7-13-34)70-59(89)46(29-94)72-58(88)45(27-49(80)81)68-52(82)32(3)66-61(91)51(33(4)76)75-53(83)39(64)21-22-48(78)79/h5-9,12-15,17-20,28,31-33,39,41-47,50-51,65,76-77,94-95H,10-11,16,21-27,29-30,63-64H2,1-4H3,(H,66,91)(H,67,87)(H,68,82)(H,69,84)(H,70,89)(H,71,85)(H,72,88)(H,73,86)(H,74,90)(H,75,83)(H,78,79)(H,80,81)(H,92,93)/t32?,33-,39+,41+,42+,43+,44+,45+,46+,47+,50+,51+/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112109
PNG
(Ala-Thr-Pro-Asp-Cys-Phe-Trp-Lys-Tyr-Cys-Val | CHEM...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)C(C)N)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C62H85N13O16S2/c1-32(2)50(62(90)91)73-59(87)47(31-93)72-55(83)43(26-36-19-21-38(77)22-20-36)67-53(81)41(17-10-11-23-63)66-56(84)44(27-37-29-65-40-16-9-8-15-39(37)40)69-54(82)42(25-35-13-6-5-7-14-35)68-58(86)46(30-92)71-57(85)45(28-49(78)79)70-60(88)48-18-12-24-75(48)61(89)51(34(4)76)74-52(80)33(3)64/h5-9,13-16,19-22,29,32-34,41-48,50-51,65,76-77,92-93H,10-12,17-18,23-28,30-31,63-64H2,1-4H3,(H,66,84)(H,67,81)(H,68,86)(H,69,82)(H,70,88)(H,71,85)(H,72,83)(H,73,87)(H,74,80)(H,78,79)(H,90,91)/t33?,34-,41+,42+,43+,44+,45+,46+,47+,48-,50+,51+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112112
PNG
(CHEMBL429558 | Glu-Thr-Pro-Asp-Cys-Phe-Trp-Ala-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C61H80N12O18S2/c1-30(2)49(61(90)91)71-58(87)45(29-93)70-55(84)40(24-34-16-18-36(75)19-17-34)65-51(80)31(3)64-53(82)42(25-35-27-63-39-14-9-8-13-37(35)39)67-54(83)41(23-33-11-6-5-7-12-33)66-57(86)44(28-92)69-56(85)43(26-48(78)79)68-59(88)46-15-10-22-73(46)60(89)50(32(4)74)72-52(81)38(62)20-21-47(76)77/h5-9,11-14,16-19,27,30-32,38,40-46,49-50,63,74-75,92-93H,10,15,20-26,28-29,62H2,1-4H3,(H,64,82)(H,65,80)(H,66,86)(H,67,83)(H,68,88)(H,69,85)(H,70,84)(H,71,87)(H,72,81)(H,76,77)(H,78,79)(H,90,91)/t31?,32-,38+,40+,41+,42+,43+,44+,45+,46-,49+,50+/m1/s1
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n/an/an/an/a 1.48E+4n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112111
PNG
(CHEMBL298803 | Cys-Phe-Trp-Lys-Tyr-Cys)
Show SMILES NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C41H53N9O7S2/c42-17-7-6-12-31(38(54)48-33(19-25-13-15-27(51)16-14-25)40(56)50-35(23-59)36(44)52)46-41(57)34(20-26-21-45-30-11-5-4-10-28(26)30)49-39(55)32(47-37(53)29(43)22-58)18-24-8-2-1-3-9-24/h1-5,8-11,13-16,21,29,31-35,45,51,58-59H,6-7,12,17-20,22-23,42-43H2,(H2,44,52)(H,46,57)(H,47,53)(H,48,54)(H,49,55)(H,50,56)/t29-,31-,32-,33-,34-,35-/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112113
PNG
(CHEMBL410219 | Glu-Thr-Pro-Ala-Cys-Phe-Trp-Lys-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C63H87N13O16S2/c1-33(2)51(63(91)92)74-60(88)48(32-94)73-57(85)45(28-37-19-21-39(78)22-20-37)69-55(83)43(17-10-11-25-64)68-58(86)46(29-38-30-66-42-16-9-8-15-40(38)42)71-56(84)44(27-36-13-6-5-7-14-36)70-59(87)47(31-93)72-53(81)34(3)67-61(89)49-18-12-26-76(49)62(90)52(35(4)77)75-54(82)41(65)23-24-50(79)80/h5-9,13-16,19-22,30,33-35,41,43-49,51-52,66,77-78,93-94H,10-12,17-18,23-29,31-32,64-65H2,1-4H3,(H,67,89)(H,68,86)(H,69,83)(H,70,87)(H,71,84)(H,72,81)(H,73,85)(H,74,88)(H,75,82)(H,79,80)(H,91,92)/t34?,35-,41+,43+,44+,45+,46+,47+,48+,49-,51+,52+/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112114
PNG
(CHEMBL427632 | Thr-Pro-Asp-Cys-Phe-Trp-Lys-Tyr-Cys...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C59H80N12O15S2/c1-31(2)49(59(85)86)70-56(82)45(30-88)69-52(78)41(25-34-18-20-36(73)21-19-34)64-50(76)39(16-9-10-22-60)63-53(79)42(26-35-28-62-38-15-8-7-14-37(35)38)66-51(77)40(24-33-12-5-4-6-13-33)65-55(81)44(29-87)68-54(80)43(27-47(74)75)67-57(83)46-17-11-23-71(46)58(84)48(61)32(3)72/h4-8,12-15,18-21,28,31-32,39-46,48-49,62,72-73,87-88H,9-11,16-17,22-27,29-30,60-61H2,1-3H3,(H,63,79)(H,64,76)(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,78)(H,70,82)(H,74,75)(H,85,86)/t32-,39+,40+,41+,42+,43+,44+,45+,46-,48+,49+/m1/s1
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n/an/an/an/a 2.40n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112115
PNG
(CHEMBL412753 | Glu-Thr-Pro-Asp-Cys-Trp-Lys-Tyr-Cys...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C55H78N12O17S2/c1-27(2)44(55(83)84)65-52(80)40(26-86)64-48(76)36(21-29-13-15-31(69)16-14-29)60-47(75)35(11-6-7-19-56)59-49(77)37(22-30-24-58-34-10-5-4-9-32(30)34)61-51(79)39(25-85)63-50(78)38(23-43(72)73)62-53(81)41-12-8-20-67(41)54(82)45(28(3)68)66-46(74)33(57)17-18-42(70)71/h4-5,9-10,13-16,24,27-28,33,35-41,44-45,58,68-69,85-86H,6-8,11-12,17-23,25-26,56-57H2,1-3H3,(H,59,77)(H,60,75)(H,61,79)(H,62,81)(H,63,78)(H,64,76)(H,65,80)(H,66,74)(H,70,71)(H,72,73)(H,83,84)/t28-,33+,35+,36+,37+,38+,39+,40+,41-,44+,45+/m1/s1
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n/an/an/an/a 53n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112118
PNG
(CHEMBL385962 | Glu-Thr-Pro-Asp-Cys-Phe-D-Trp-Lys-T...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C64H87N13O18S2/c1-33(2)52(64(94)95)75-61(91)48(32-97)74-57(87)44(27-36-18-20-38(79)21-19-36)69-55(85)42(16-9-10-24-65)68-58(88)45(28-37-30-67-41-15-8-7-14-39(37)41)71-56(86)43(26-35-12-5-4-6-13-35)70-60(90)47(31-96)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/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79,96-97H,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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n/an/an/an/a 3.80n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112116
PNG
(Asp-Cys-Phe-Trp-Lys-Tyr-Cys-Val | CHEMBL414256)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(O)=O)C(O)=O
Show InChI InChI=1S/C50H66N10O12S2/c1-27(2)42(50(71)72)60-49(70)40(26-74)59-46(67)37(21-29-15-17-31(61)18-16-29)55-44(65)35(14-8-9-19-51)54-47(68)38(22-30-24-53-34-13-7-6-12-32(30)34)57-45(66)36(20-28-10-4-3-5-11-28)56-48(69)39(25-73)58-43(64)33(52)23-41(62)63/h3-7,10-13,15-18,24,27,33,35-40,42,53,61,73-74H,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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n/an/an/an/a 3n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112117
PNG
(CHEMBL441391 | Glu-Thr-Pro-Asp-Cys-Phe-Ala-Lys-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C56H82N12O18S2/c1-28(2)44(56(85)86)66-53(82)40(27-88)65-50(79)37(24-32-15-17-33(70)18-16-32)61-48(77)35(13-8-9-21-57)60-46(75)29(3)59-49(78)36(23-31-11-6-5-7-12-31)62-52(81)39(26-87)64-51(80)38(25-43(73)74)63-54(83)41-14-10-22-68(41)55(84)45(30(4)69)67-47(76)34(58)19-20-42(71)72/h5-7,11-12,15-18,28-30,34-41,44-45,69-70,87-88H,8-10,13-14,19-27,57-58H2,1-4H3,(H,59,78)(H,60,75)(H,61,77)(H,62,81)(H,63,83)(H,64,80)(H,65,79)(H,66,82)(H,67,76)(H,71,72)(H,73,74)(H,85,86)/t29?,30-,34+,35+,36+,37+,38+,39+,40+,41-,44+,45+/m1/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112120
PNG
(CHEMBL53181 | Cys-Phe-Trp-Lys-Tyr-Cys-Val)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(O)=O
Show InChI InChI=1S/C46H61N9O9S2/c1-26(2)39(46(63)64)55-45(62)38(25-66)54-43(60)36(21-28-15-17-30(56)18-16-28)52-41(58)34(14-8-9-19-47)50-44(61)37(22-29-23-49-33-13-7-6-12-31(29)33)53-42(59)35(51-40(57)32(48)24-65)20-27-10-4-3-5-11-27/h3-7,10-13,15-18,23,26,32,34-39,49,56,65-66H,8-9,14,19-22,24-25,47-48H2,1-2H3,(H,50,61)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,62)(H,63,64)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112119
PNG
(CHEMBL264590 | Glu-Thr-Pro-Asp-Cys-Phe-Trp-D-Lys-T...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C64H87N13O18S2/c1-33(2)52(64(94)95)75-61(91)48(32-97)74-57(87)44(27-36-18-20-38(79)21-19-36)69-55(85)42(16-9-10-24-65)68-58(88)45(28-37-30-67-41-15-8-7-14-39(37)41)71-56(86)43(26-35-12-5-4-6-13-35)70-60(90)47(31-96)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/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79,96-97H,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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n/an/an/an/a>1.00E+4n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112121
PNG
(CHEMBL412042 | Glu-Ala-Pro-Asp-Cys-Phe-Trp-Lys-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)C(C)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C63H85N13O17S2/c1-33(2)52(63(92)93)75-60(89)48(32-95)74-56(85)44(27-36-18-20-38(77)21-19-36)69-54(83)42(16-9-10-24-64)68-57(86)45(28-37-30-66-41-15-8-7-14-39(37)41)71-55(84)43(26-35-12-5-4-6-13-35)70-59(88)47(31-94)73-58(87)46(29-51(80)81)72-61(90)49-17-11-25-76(49)62(91)34(3)67-53(82)40(65)22-23-50(78)79/h4-8,12-15,18-21,30,33-34,40,42-49,52,66,77,94-95H,9-11,16-17,22-29,31-32,64-65H2,1-3H3,(H,67,82)(H,68,86)(H,69,83)(H,70,88)(H,71,84)(H,72,90)(H,73,87)(H,74,85)(H,75,89)(H,78,79)(H,80,81)(H,92,93)/t34?,40-,42-,43-,44-,45-,46-,47-,48-,49+,52-/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112122
PNG
(CHEMBL405324 | Glu-Thr-Pro-Asp-Cys-Ala-Trp-Lys-Tyr...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C58H83N13O18S2/c1-28(2)46(58(88)89)69-55(85)42(27-91)68-51(81)38(22-31-14-16-33(73)17-15-31)65-50(80)37(12-7-8-20-59)63-52(82)39(23-32-25-61-36-11-6-5-10-34(32)36)64-48(78)29(3)62-54(84)41(26-90)67-53(83)40(24-45(76)77)66-56(86)43-13-9-21-71(43)57(87)47(30(4)72)70-49(79)35(60)18-19-44(74)75/h5-6,10-11,14-17,25,28-30,35,37-43,46-47,61,72-73,90-91H,7-9,12-13,18-24,26-27,59-60H2,1-4H3,(H,62,84)(H,63,82)(H,64,78)(H,65,80)(H,66,86)(H,67,83)(H,68,81)(H,69,85)(H,70,79)(H,74,75)(H,76,77)(H,88,89)/t29?,30-,35+,37+,38+,39+,40+,41+,42+,43-,46+,47+/m1/s1
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n/an/an/an/a 5.70n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair
Urotensin II receptor


(HUMAN)
BDBM50112104
PNG
(CHEMBL415779 | Glu-Thr-Pro-Asp-Cys-Phe-Trp-Lys-Ala...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)C(C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C58H83N13O17S2/c1-29(2)46(58(87)88)69-55(84)42(28-90)67-48(77)30(3)62-50(79)37(17-10-11-21-59)63-52(81)39(24-33-26-61-36-16-9-8-15-34(33)36)65-51(80)38(23-32-13-6-5-7-14-32)64-54(83)41(27-89)68-53(82)40(25-45(75)76)66-56(85)43-18-12-22-71(43)57(86)47(31(4)72)70-49(78)35(60)19-20-44(73)74/h5-9,13-16,26,29-31,35,37-43,46-47,61,72,89-90H,10-12,17-25,27-28,59-60H2,1-4H3,(H,62,79)(H,63,81)(H,64,83)(H,65,80)(H,66,85)(H,67,77)(H,68,82)(H,69,84)(H,70,78)(H,73,74)(H,75,76)(H,87,88)/t30?,31-,35+,37+,38+,39+,40+,41+,42+,43-,46+,47+/m1/s1
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n/an/an/an/a 193n/an/an/an/a



Aventis Pharma Germany GmbH

Curated by ChEMBL


Assay Description
Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor


J Med Chem 45: 1799-805 (2002)


Article DOI: 10.1021/jm0111043
BindingDB Entry DOI: 10.7270/Q23N22Q3
More data for this
Ligand-Target Pair