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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'pally' and Initial = 'c'   
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
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(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](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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1.26n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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3.98n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(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](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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5.01n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(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](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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5.01n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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63.1n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(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](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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251n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(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](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Novartis Pharma Research

Curated by PDSP Ki Database




Transplant Proc 29: 2599-600 (1997)


Article DOI: 10.1016/s0041-1345(97)00523-x
BindingDB Entry DOI: 10.7270/Q2057DG7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399042
PNG
(CHEMBL2178812)
Show SMILES Cc1cc(c(C)cc1Cl)S(=O)(=O)Nc1cccc(c1)-c1cc(C)c(C(=O)N[C@@H](CCN)C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C27H30ClN3O5S/c1-15-13-24(16(2)12-22(15)28)37(35,36)31-21-7-5-6-19(14-21)20-10-17(3)25(18(4)11-20)26(32)30-23(8-9-29)27(33)34/h5-7,10-14,23,31H,8-9,29H2,1-4H3,(H,30,32)(H,33,34)/t23-/m0/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399045
PNG
(CHEMBL2178809)
Show SMILES C[C@H](NC(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C26H27ClN2O5S/c1-14-12-23(15(2)11-22(14)27)35(33,34)29-21-8-6-7-19(13-21)20-9-16(3)24(17(4)10-20)25(30)28-18(5)26(31)32/h6-13,18,29H,1-5H3,(H,28,30)(H,31,32)/t18-/m0/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399044
PNG
(CHEMBL2178810)
Show SMILES C[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C27H29ClN2O5S/c1-15-13-24(16(2)12-23(15)28)36(34,35)29-22-9-7-8-20(14-22)21-10-17(3)25(18(4)11-21)26(31)30(6)19(5)27(32)33/h7-14,19,29H,1-6H3,(H,32,33)/t19-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399043
PNG
(CHEMBL2178811)
Show SMILES CN(C)C[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C29H34ClN3O5S/c1-17-14-26(18(2)13-24(17)30)39(37,38)31-23-10-8-9-21(15-23)22-11-19(3)27(20(4)12-22)28(34)33(7)25(29(35)36)16-32(5)6/h8-15,25,31H,16H2,1-7H3,(H,35,36)/t25-/m0/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399041
PNG
(CHEMBL2178813)
Show SMILES CN(C)CC[C@H](NC(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C29H34ClN3O5S/c1-17-15-26(18(2)14-24(17)30)39(37,38)32-23-9-7-8-21(16-23)22-12-19(3)27(20(4)13-22)28(34)31-25(29(35)36)10-11-33(5)6/h7-9,12-16,25,32H,10-11H2,1-6H3,(H,31,34)(H,35,36)/t25-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399040
PNG
(CHEMBL2178815)
Show SMILES CN(C)CC[C@@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/a 802n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P3R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/a 978n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P5R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P4R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at human S1P2R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/an/a 0.670n/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Competitive binding affinity to human S1P1R receptor expressed in CHO cell membranes by Schild plot analysis


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Agonist activity at human S1P4R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Agonist activity at human S1P5R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Agonist activity at human S1P2R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50399039
PNG
(CHEMBL2178814)
Show SMILES CN(C)CC[C@H](N(C)C(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-18-16-27(19(2)15-25(18)31)40(38,39)32-24-10-8-9-22(17-24)23-13-20(3)28(21(4)14-23)29(35)34(7)26(30(36)37)11-12-33(5)6/h8-10,13-17,26,32H,11-12H2,1-7H3,(H,36,37)/t26-/m0/s1
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay


J Med Chem 55: 9722-34 (2012)


Article DOI: 10.1021/jm3009508
BindingDB Entry DOI: 10.7270/Q2K938PD
More data for this
Ligand-Target Pair