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52 similar compounds to monomer 144770

Compile data set for download or QSAR
Wt: 1629.0
BDBM50027837
Wt: 1691.1
BDBM50027842
Wt: 1695.0
BDBM50027845
Wt: 1679.0
BDBM50027844
Wt: 1629.0
BDBM50027834
Wt: 1691.1
BDBM50027836
Wt: 1602.9
BDBM144773
Wt: 1496.8
BDBM144763
Wt: 1440.7
BDBM144764
Wt: 1454.7
BDBM144765
Wt: 1470.7
BDBM144766
Wt: 1439.8
BDBM144767
Wt: 1659.9
BDBM144768
Wt: 1425.7
BDBM144737
Wt: 1439.7
BDBM144738
Displayed 1 to 15 (of 52 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50027837,50027842,50027845,50027844,50027834,50027836,144773,144763,144764,144765,144766,144767,144768,144737,144738   
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
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144737
PNG
(US8952128, 1)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C78H101FN16O9/c1-47(96)69-77(104)93-63(41-50-30-32-54(79)33-31-50)70(97)84-35-14-12-26-60(83-36-16-22-51-38-57-56-24-15-28-59-68(56)53(45-87-59)43-67(57)95(2)46-51)71(98)88-62(29-17-37-85-78(81)82)72(99)90-64(39-48-18-5-3-6-19-48)74(101)91-65(40-49-20-7-4-8-21-49)75(102)92-66(42-52-44-86-58-25-10-9-23-55(52)58)76(103)89-61(73(100)94-69)27-11-13-34-80/h3-10,15,18-21,23-25,28,30-33,44-45,47,51,57,60-67,69,83,86-87,96H,11-14,16-17,22,26-27,29,34-43,46,80H2,1-2H3,(H,84,97)(H,88,98)(H,89,103)(H,90,99)(H,91,101)(H,92,102)(H,93,104)(H,94,100)(H4,81,82,85)/t47-,51-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.0400 -14.2n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144766
PNG
(US8952128, 25)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H99N17O11S/c1-45(95)68-76(105)92-61(36-47-23-25-52(96)26-24-47)69(98)82-30-11-9-20-58(86-66(97)44-106-43-49-34-55-54-17-12-21-57-67(54)51(41-85-57)39-65(55)94(2)42-49)70(99)87-60(22-13-31-83-77(79)80)71(100)89-62(35-46-14-4-3-5-15-46)73(102)90-63(37-48-27-32-81-33-28-48)74(103)91-64(38-50-40-84-56-18-7-6-16-53(50)56)75(104)88-59(72(101)93-68)19-8-10-29-78/h3-7,12,14-18,21,23-28,32-33,40-41,45,49,55,58-65,68,84-85,95-96H,8-11,13,19-20,22,29-31,34-39,42-44,78H2,1-2H3,(H,82,98)(H,86,97)(H,87,99)(H,88,104)(H,89,100)(H,90,102)(H,91,103)(H,92,105)(H,93,101)(H4,79,80,83)/t45-,49-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/m1/s1
KEGG

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PC sid
UniChem

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US Patent
0.0500 -14.0n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144765
PNG
(US8952128, 24)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H99N17O10S/c1-46(95)68-76(104)92-61(36-47-17-5-3-6-18-47)69(97)82-31-14-12-25-58(86-66(96)45-105-44-50-35-55-54-22-15-26-57-67(54)52(42-85-57)40-65(55)94(2)43-50)70(98)87-60(27-16-32-83-77(79)80)71(99)89-62(37-48-19-7-4-8-20-48)73(101)90-63(38-49-28-33-81-34-29-49)74(102)91-64(39-51-41-84-56-23-10-9-21-53(51)56)75(103)88-59(72(100)93-68)24-11-13-30-78/h3-10,15,17-23,26,28-29,33-34,41-42,46,50,55,58-65,68,84-85,95H,11-14,16,24-25,27,30-32,35-40,43-45,78H2,1-2H3,(H,82,97)(H,86,96)(H,87,98)(H,88,103)(H,89,99)(H,90,101)(H,91,102)(H,92,104)(H,93,100)(H4,79,80,83)/t46-,50-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/m1/s1
KEGG

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GoogleScholar
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PC sid
UniChem

Similars

US Patent
0.0800 -13.8n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144764
PNG
(US8952128, 23)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NCCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H101N17O9S/c1-47(95)68-76(103)92-62(38-48-17-5-3-6-18-48)69(96)83-31-14-12-24-59(82-35-36-104-46-51-37-56-55-22-15-26-58-67(55)53(44-86-58)42-66(56)94(2)45-51)70(97)87-61(27-16-32-84-77(79)80)71(98)89-63(39-49-19-7-4-8-20-49)73(100)90-64(40-50-28-33-81-34-29-50)74(101)91-65(41-52-43-85-57-23-10-9-21-54(52)57)75(102)88-60(72(99)93-68)25-11-13-30-78/h3-10,15,17-23,26,28-29,33-34,43-44,47,51,56,59-66,68,82,85-86,95H,11-14,16,24-25,27,30-32,35-42,45-46,78H2,1-2H3,(H,83,96)(H,87,97)(H,88,102)(H,89,98)(H,90,100)(H,91,101)(H,92,103)(H,93,99)(H4,79,80,84)/t47-,51-,56-,59-,60+,61+,62+,63+,64+,65-,66-,68+/m1/s1
KEGG

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UniChem

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US Patent
0.0900 -13.7n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144773
PNG
(US8952128, 30 | US8952128, 32)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68-,69+,70+,71+,72+,73+,74-,75-,78+/m1/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
0.280 -13.0n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144768
PNG
(US8952128, 27)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NC[C@@H](Cc1ccc(O)cc1)NC(=O)CCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O
Show InChI InChI=1S/C90H115FN18O12/c1-54(110)81-89(121)106-74(46-59-29-33-63(91)34-30-59)82(114)95-39-15-13-25-71(99-51-64(42-58-31-35-65(112)36-32-58)100-79(113)37-41-109(55(2)111)53-60-43-68-67-23-16-27-70-80(67)62(50-98-70)48-78(68)108(3)52-60)83(115)101-73(28-17-40-96-90(93)94)84(116)103-75(44-56-18-6-4-7-19-56)86(118)104-76(45-57-20-8-5-9-21-57)87(119)105-77(47-61-49-97-69-24-11-10-22-66(61)69)88(120)102-72(85(117)107-81)26-12-14-38-92/h4-11,16,18-24,27,29-36,49-50,54,60,64,68,71-78,81,97-99,110,112H,12-15,17,25-26,28,37-48,51-53,92H2,1-3H3,(H,95,114)(H,100,113)(H,101,115)(H,102,120)(H,103,116)(H,104,118)(H,105,119)(H,106,121)(H,107,117)(H4,93,94,96)/t54-,60-,64-,68-,71-,72+,73+,74+,75+,76+,77-,78-,81+/m1/s1
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US Patent
0.320 -12.9n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144763
PNG
(US8952128, 22)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)N(CCCNC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O
Show InChI InChI=1S/C81H106FN17O10/c1-49(100)72-80(109)96-65(42-53-30-32-57(82)33-31-53)73(102)87-36-15-13-29-69(99(50(2)101)38-18-35-86-45-54-39-60-59-24-16-27-62-71(59)56(47-90-62)44-70(60)98(3)48-54)79(108)92-64(28-17-37-88-81(84)85)74(103)93-66(40-51-19-6-4-7-20-51)76(105)94-67(41-52-21-8-5-9-22-52)77(106)95-68(43-55-46-89-61-25-11-10-23-58(55)61)78(107)91-63(75(104)97-72)26-12-14-34-83/h4-11,16,19-25,27,30-33,46-47,49,54,60,63-70,72,86,89-90,100H,12-15,17-18,26,28-29,34-45,48,83H2,1-3H3,(H,87,102)(H,91,107)(H,92,108)(H,93,103)(H,94,105)(H,95,106)(H,96,109)(H,97,104)(H4,84,85,88)/t49-,54+,60-,63+,64+,65+,66+,67+,68-,69-,70-,72+/m1/s1
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US Patent
0.350 -12.9n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144773
PNG
(US8952128, 30 | US8952128, 32)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68-,69+,70+,71+,72+,73+,74-,75-,78+/m1/s1
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US Patent
0.400 -12.8n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM144768
PNG
(US8952128, 27)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NC[C@@H](Cc1ccc(O)cc1)NC(=O)CCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O
Show InChI InChI=1S/C90H115FN18O12/c1-54(110)81-89(121)106-74(46-59-29-33-63(91)34-30-59)82(114)95-39-15-13-25-71(99-51-64(42-58-31-35-65(112)36-32-58)100-79(113)37-41-109(55(2)111)53-60-43-68-67-23-16-27-70-80(67)62(50-98-70)48-78(68)108(3)52-60)83(115)101-73(28-17-40-96-90(93)94)84(116)103-75(44-56-18-6-4-7-19-56)86(118)104-76(45-57-20-8-5-9-21-57)87(119)105-77(47-61-49-97-69-24-11-10-22-66(61)69)88(120)102-72(85(117)107-81)26-12-14-38-92/h4-11,16,18-24,27,29-36,49-50,54,60,64,68,71-78,81,97-99,110,112H,12-15,17,25-26,28,37-48,51-53,92H2,1-3H3,(H,95,114)(H,100,113)(H,101,115)(H,102,120)(H,103,116)(H,104,118)(H,105,119)(H,106,121)(H,107,117)(H4,93,94,96)/t54-,60-,64-,68-,71-,72+,73+,74+,75+,76+,77-,78-,81+/m1/s1
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US Patent
0.530 -12.6n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144738
PNG
(US8952128, 2)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCCC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C79H103FN16O9/c1-48(97)70-78(105)94-64(42-51-31-33-55(80)34-32-51)71(98)85-37-16-13-27-61(84-36-15-12-23-52-39-58-57-25-17-29-60-69(57)54(46-88-60)44-68(58)96(2)47-52)72(99)89-63(30-18-38-86-79(82)83)73(100)91-65(40-49-19-5-3-6-20-49)75(102)92-66(41-50-21-7-4-8-22-50)76(103)93-67(43-53-45-87-59-26-10-9-24-56(53)59)77(104)90-62(74(101)95-70)28-11-14-35-81/h3-10,17,19-22,24-26,29,31-34,45-46,48,52,58,61-68,70,84,87-88,97H,11-16,18,23,27-28,30,35-44,47,81H2,1-2H3,(H,85,98)(H,89,99)(H,90,104)(H,91,100)(H,92,102)(H,93,103)(H,94,105)(H,95,101)(H4,82,83,86)/t48-,52-,58-,61-,62+,63+,64+,65+,66+,67-,68-,70+/m1/s1
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0.790 -12.4n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM144768
PNG
(US8952128, 27)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NC[C@@H](Cc1ccc(O)cc1)NC(=O)CCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O
Show InChI InChI=1S/C90H115FN18O12/c1-54(110)81-89(121)106-74(46-59-29-33-63(91)34-30-59)82(114)95-39-15-13-25-71(99-51-64(42-58-31-35-65(112)36-32-58)100-79(113)37-41-109(55(2)111)53-60-43-68-67-23-16-27-70-80(67)62(50-98-70)48-78(68)108(3)52-60)83(115)101-73(28-17-40-96-90(93)94)84(116)103-75(44-56-18-6-4-7-19-56)86(118)104-76(45-57-20-8-5-9-21-57)87(119)105-77(47-61-49-97-69-24-11-10-22-66(61)69)88(120)102-72(85(117)107-81)26-12-14-38-92/h4-11,16,18-24,27,29-36,49-50,54,60,64,68,71-78,81,97-99,110,112H,12-15,17,25-26,28,37-48,51-53,92H2,1-3H3,(H,95,114)(H,100,113)(H,101,115)(H,102,120)(H,103,116)(H,104,118)(H,105,119)(H,106,121)(H,107,117)(H4,93,94,96)/t54-,60-,64-,68-,71-,72+,73+,74+,75+,76+,77-,78-,81+/m1/s1
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0.900 -12.3n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM144766
PNG
(US8952128, 25)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H99N17O11S/c1-45(95)68-76(105)92-61(36-47-23-25-52(96)26-24-47)69(98)82-30-11-9-20-58(86-66(97)44-106-43-49-34-55-54-17-12-21-57-67(54)51(41-85-57)39-65(55)94(2)42-49)70(99)87-60(22-13-31-83-77(79)80)71(100)89-62(35-46-14-4-3-5-15-46)73(102)90-63(37-48-27-32-81-33-28-48)74(103)91-64(38-50-40-84-56-18-7-6-16-53(50)56)75(104)88-59(72(101)93-68)19-8-10-29-78/h3-7,12,14-18,21,23-28,32-33,40-41,45,49,55,58-65,68,84-85,95-96H,8-11,13,19-20,22,29-31,34-39,42-44,78H2,1-2H3,(H,82,98)(H,86,97)(H,87,99)(H,88,104)(H,89,100)(H,90,102)(H,91,103)(H,92,105)(H,93,101)(H4,79,80,83)/t45-,49-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/m1/s1
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0.950 -12.3n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM144773
PNG
(US8952128, 30 | US8952128, 32)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68-,69+,70+,71+,72+,73+,74-,75-,78+/m1/s1
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1.58 -12.0n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM144767
PNG
(US8952128, 26)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NCCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C78H102N16O9S/c1-48(95)69-77(103)92-63(39-49-20-6-3-7-21-49)70(96)83-34-17-15-29-60(82-36-37-104-47-52-38-57-56-27-18-31-59-68(56)54(45-86-59)43-67(57)94(2)46-52)71(97)87-62(32-19-35-84-78(80)81)72(98)89-64(40-50-22-8-4-9-23-50)74(100)90-65(41-51-24-10-5-11-25-51)75(101)91-66(42-53-44-85-58-28-13-12-26-55(53)58)76(102)88-61(73(99)93-69)30-14-16-33-79/h3-13,18,20-28,31,44-45,48,52,57,60-67,69,82,85-86,95H,14-17,19,29-30,32-43,46-47,79H2,1-2H3,(H,83,96)(H,87,97)(H,88,102)(H,89,98)(H,90,100)(H,91,101)(H,92,103)(H,93,99)(H4,80,81,84)/t48-,52-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/m1/s1
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2.23 -11.8n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM144765
PNG
(US8952128, 24)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H99N17O10S/c1-46(95)68-76(104)92-61(36-47-17-5-3-6-18-47)69(97)82-31-14-12-25-58(86-66(96)45-105-44-50-35-55-54-22-15-26-57-67(54)52(42-85-57)40-65(55)94(2)43-50)70(98)87-60(27-16-32-83-77(79)80)71(99)89-62(37-48-19-7-4-8-20-48)73(101)90-63(38-49-28-33-81-34-29-49)74(102)91-64(39-51-41-84-56-23-10-9-21-53(51)56)75(103)88-59(72(100)93-68)24-11-13-30-78/h3-10,15,17-23,26,28-29,33-34,41-42,46,50,55,58-65,68,84-85,95H,11-14,16,24-25,27,30-32,35-40,43-45,78H2,1-2H3,(H,82,97)(H,86,96)(H,87,98)(H,88,103)(H,89,99)(H,90,101)(H,91,102)(H,92,104)(H,93,100)(H4,79,80,83)/t46-,50-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/m1/s1
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2.39 -11.8n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM144773
PNG
(US8952128, 30 | US8952128, 32)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68-,69+,70+,71+,72+,73+,74-,75-,78+/m1/s1
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5.30 -11.3n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144738
PNG
(US8952128, 2)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCCC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C79H103FN16O9/c1-48(97)70-78(105)94-64(42-51-31-33-55(80)34-32-51)71(98)85-37-16-13-27-61(84-36-15-12-23-52-39-58-57-25-17-29-60-69(57)54(46-88-60)44-68(58)96(2)47-52)72(99)89-63(30-18-38-86-79(82)83)73(100)91-65(40-49-19-5-3-6-20-49)75(102)92-66(41-50-21-7-4-8-22-50)76(103)93-67(43-53-45-87-59-26-10-9-24-56(53)59)77(104)90-62(74(101)95-70)28-11-14-35-81/h3-10,17,19-22,24-26,29,31-34,45-46,48,52,58,61-68,70,84,87-88,97H,11-16,18,23,27-28,30,35-44,47,81H2,1-2H3,(H,85,98)(H,89,99)(H,90,104)(H,91,100)(H,92,102)(H,93,103)(H,94,105)(H,95,101)(H4,82,83,86)/t48-,52-,58-,61-,62+,63+,64+,65+,66+,67-,68-,70+/m1/s1
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6.90n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM144768
PNG
(US8952128, 27)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NC[C@@H](Cc1ccc(O)cc1)NC(=O)CCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O
Show InChI InChI=1S/C90H115FN18O12/c1-54(110)81-89(121)106-74(46-59-29-33-63(91)34-30-59)82(114)95-39-15-13-25-71(99-51-64(42-58-31-35-65(112)36-32-58)100-79(113)37-41-109(55(2)111)53-60-43-68-67-23-16-27-70-80(67)62(50-98-70)48-78(68)108(3)52-60)83(115)101-73(28-17-40-96-90(93)94)84(116)103-75(44-56-18-6-4-7-19-56)86(118)104-76(45-57-20-8-5-9-21-57)87(119)105-77(47-61-49-97-69-24-11-10-22-66(61)69)88(120)102-72(85(117)107-81)26-12-14-38-92/h4-11,16,18-24,27,29-36,49-50,54,60,64,68,71-78,81,97-99,110,112H,12-15,17,25-26,28,37-48,51-53,92H2,1-3H3,(H,95,114)(H,100,113)(H,101,115)(H,102,120)(H,103,116)(H,104,118)(H,105,119)(H,106,121)(H,107,117)(H4,93,94,96)/t54-,60-,64-,68-,71-,72+,73+,74+,75+,76+,77-,78-,81+/m1/s1
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7.30 -11.1n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144737
PNG
(US8952128, 1)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C78H101FN16O9/c1-47(96)69-77(104)93-63(41-50-30-32-54(79)33-31-50)70(97)84-35-14-12-26-60(83-36-16-22-51-38-57-56-24-15-28-59-68(56)53(45-87-59)43-67(57)95(2)46-51)71(98)88-62(29-17-37-85-78(81)82)72(99)90-64(39-48-18-5-3-6-19-48)74(101)91-65(40-49-20-7-4-8-21-49)75(102)92-66(42-52-44-86-58-25-10-9-23-55(52)58)76(103)89-61(73(100)94-69)27-11-13-34-80/h3-10,15,18-21,23-25,28,30-33,44-45,47,51,57,60-67,69,83,86-87,96H,11-14,16-17,22,26-27,29,34-43,46,80H2,1-2H3,(H,84,97)(H,88,98)(H,89,103)(H,90,99)(H,91,101)(H,92,102)(H,93,104)(H,94,100)(H4,81,82,85)/t47-,51-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/m1/s1
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10.8n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144773
PNG
(US8952128, 30 | US8952128, 32)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68-,69+,70+,71+,72+,73+,74-,75-,78+/m1/s1
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US Patent
24.2n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM144768
PNG
(US8952128, 27)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NC[C@@H](Cc1ccc(O)cc1)NC(=O)CCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O
Show InChI InChI=1S/C90H115FN18O12/c1-54(110)81-89(121)106-74(46-59-29-33-63(91)34-30-59)82(114)95-39-15-13-25-71(99-51-64(42-58-31-35-65(112)36-32-58)100-79(113)37-41-109(55(2)111)53-60-43-68-67-23-16-27-70-80(67)62(50-98-70)48-78(68)108(3)52-60)83(115)101-73(28-17-40-96-90(93)94)84(116)103-75(44-56-18-6-4-7-19-56)86(118)104-76(45-57-20-8-5-9-21-57)87(119)105-77(47-61-49-97-69-24-11-10-22-66(61)69)88(120)102-72(85(117)107-81)26-12-14-38-92/h4-11,16,18-24,27,29-36,49-50,54,60,64,68,71-78,81,97-99,110,112H,12-15,17,25-26,28,37-48,51-53,92H2,1-3H3,(H,95,114)(H,100,113)(H,101,115)(H,102,120)(H,103,116)(H,104,118)(H,105,119)(H,106,121)(H,107,117)(H4,93,94,96)/t54-,60-,64-,68-,71-,72+,73+,74+,75+,76+,77-,78-,81+/m1/s1
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24.4 -10.4n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM144766
PNG
(US8952128, 25)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H99N17O11S/c1-45(95)68-76(105)92-61(36-47-23-25-52(96)26-24-47)69(98)82-30-11-9-20-58(86-66(97)44-106-43-49-34-55-54-17-12-21-57-67(54)51(41-85-57)39-65(55)94(2)42-49)70(99)87-60(22-13-31-83-77(79)80)71(100)89-62(35-46-14-4-3-5-15-46)73(102)90-63(37-48-27-32-81-33-28-48)74(103)91-64(38-50-40-84-56-18-7-6-16-53(50)56)75(104)88-59(72(101)93-68)19-8-10-29-78/h3-7,12,14-18,21,23-28,32-33,40-41,45,49,55,58-65,68,84-85,95-96H,8-11,13,19-20,22,29-31,34-39,42-44,78H2,1-2H3,(H,82,98)(H,86,97)(H,87,99)(H,88,104)(H,89,100)(H,90,102)(H,91,103)(H,92,105)(H,93,101)(H4,79,80,83)/t45-,49-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/m1/s1
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41.9 -10.1n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144773
PNG
(US8952128, 30 | US8952128, 32)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68-,69+,70+,71+,72+,73+,74-,75-,78+/m1/s1
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44n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM144765
PNG
(US8952128, 24)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H99N17O10S/c1-46(95)68-76(104)92-61(36-47-17-5-3-6-18-47)69(97)82-31-14-12-25-58(86-66(96)45-105-44-50-35-55-54-22-15-26-57-67(54)52(42-85-57)40-65(55)94(2)43-50)70(98)87-60(27-16-32-83-77(79)80)71(99)89-62(37-48-19-7-4-8-20-48)73(101)90-63(38-49-28-33-81-34-29-49)74(102)91-64(39-51-41-84-56-23-10-9-21-53(51)56)75(103)88-59(72(100)93-68)24-11-13-30-78/h3-10,15,17-23,26,28-29,33-34,41-42,46,50,55,58-65,68,84-85,95H,11-14,16,24-25,27,30-32,35-40,43-45,78H2,1-2H3,(H,82,97)(H,86,96)(H,87,98)(H,88,103)(H,89,99)(H,90,101)(H,91,102)(H,92,104)(H,93,100)(H4,79,80,83)/t46-,50-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/m1/s1
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47.7 -9.98n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM144767
PNG
(US8952128, 26)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NCCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C78H102N16O9S/c1-48(95)69-77(103)92-63(39-49-20-6-3-7-21-49)70(96)83-34-17-15-29-60(82-36-37-104-47-52-38-57-56-27-18-31-59-68(56)54(45-86-59)43-67(57)94(2)46-52)71(97)87-62(32-19-35-84-78(80)81)72(98)89-64(40-50-22-8-4-9-23-50)74(100)90-65(41-51-24-10-5-11-25-51)75(101)91-66(42-53-44-85-58-28-13-12-26-55(53)58)76(102)88-61(73(99)93-69)30-14-16-33-79/h3-13,18,20-28,31,44-45,48,52,57,60-67,69,82,85-86,95H,14-17,19,29-30,32-43,46-47,79H2,1-2H3,(H,83,96)(H,87,97)(H,88,102)(H,89,98)(H,90,100)(H,91,101)(H,92,103)(H,93,99)(H4,80,81,84)/t48-,52-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/m1/s1
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59 -9.86n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144765
PNG
(US8952128, 24)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H99N17O10S/c1-46(95)68-76(104)92-61(36-47-17-5-3-6-18-47)69(97)82-31-14-12-25-58(86-66(96)45-105-44-50-35-55-54-22-15-26-57-67(54)52(42-85-57)40-65(55)94(2)43-50)70(98)87-60(27-16-32-83-77(79)80)71(99)89-62(37-48-19-7-4-8-20-48)73(101)90-63(38-49-28-33-81-34-29-49)74(102)91-64(39-51-41-84-56-23-10-9-21-53(51)56)75(103)88-59(72(100)93-68)24-11-13-30-78/h3-10,15,17-23,26,28-29,33-34,41-42,46,50,55,58-65,68,84-85,95H,11-14,16,24-25,27,30-32,35-40,43-45,78H2,1-2H3,(H,82,97)(H,86,96)(H,87,98)(H,88,103)(H,89,99)(H,90,101)(H,91,102)(H,92,104)(H,93,100)(H4,79,80,83)/t46-,50-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/m1/s1
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175n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144763
PNG
(US8952128, 22)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)N(CCCNC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O
Show InChI InChI=1S/C81H106FN17O10/c1-49(100)72-80(109)96-65(42-53-30-32-57(82)33-31-53)73(102)87-36-15-13-29-69(99(50(2)101)38-18-35-86-45-54-39-60-59-24-16-27-62-71(59)56(47-90-62)44-70(60)98(3)48-54)79(108)92-64(28-17-37-88-81(84)85)74(103)93-66(40-51-19-6-4-7-20-51)76(105)94-67(41-52-21-8-5-9-22-52)77(106)95-68(43-55-46-89-61-25-11-10-23-58(55)61)78(107)91-63(75(104)97-72)26-12-14-34-83/h4-11,16,19-25,27,30-33,46-47,49,54,60,63-70,72,86,89-90,100H,12-15,17-18,26,28-29,34-45,48,83H2,1-3H3,(H,87,102)(H,91,107)(H,92,108)(H,93,103)(H,94,105)(H,95,106)(H,96,109)(H,97,104)(H4,84,85,88)/t49-,54+,60-,63+,64+,65+,66+,67+,68-,69-,70-,72+/m1/s1
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200n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144766
PNG
(US8952128, 25)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H99N17O11S/c1-45(95)68-76(105)92-61(36-47-23-25-52(96)26-24-47)69(98)82-30-11-9-20-58(86-66(97)44-106-43-49-34-55-54-17-12-21-57-67(54)51(41-85-57)39-65(55)94(2)42-49)70(99)87-60(22-13-31-83-77(79)80)71(100)89-62(35-46-14-4-3-5-15-46)73(102)90-63(37-48-27-32-81-33-28-48)74(103)91-64(38-50-40-84-56-18-7-6-16-53(50)56)75(104)88-59(72(101)93-68)19-8-10-29-78/h3-7,12,14-18,21,23-28,32-33,40-41,45,49,55,58-65,68,84-85,95-96H,8-11,13,19-20,22,29-31,34-39,42-44,78H2,1-2H3,(H,82,98)(H,86,97)(H,87,99)(H,88,104)(H,89,100)(H,90,102)(H,91,103)(H,92,105)(H,93,101)(H4,79,80,83)/t45-,49-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/m1/s1
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272n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144768
PNG
(US8952128, 27)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NC[C@@H](Cc1ccc(O)cc1)NC(=O)CCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O
Show InChI InChI=1S/C90H115FN18O12/c1-54(110)81-89(121)106-74(46-59-29-33-63(91)34-30-59)82(114)95-39-15-13-25-71(99-51-64(42-58-31-35-65(112)36-32-58)100-79(113)37-41-109(55(2)111)53-60-43-68-67-23-16-27-70-80(67)62(50-98-70)48-78(68)108(3)52-60)83(115)101-73(28-17-40-96-90(93)94)84(116)103-75(44-56-18-6-4-7-19-56)86(118)104-76(45-57-20-8-5-9-21-57)87(119)105-77(47-61-49-97-69-24-11-10-22-66(61)69)88(120)102-72(85(117)107-81)26-12-14-38-92/h4-11,16,18-24,27,29-36,49-50,54,60,64,68,71-78,81,97-99,110,112H,12-15,17,25-26,28,37-48,51-53,92H2,1-3H3,(H,95,114)(H,100,113)(H,101,115)(H,102,120)(H,103,116)(H,104,118)(H,105,119)(H,106,121)(H,107,117)(H4,93,94,96)/t54-,60-,64-,68-,71-,72+,73+,74+,75+,76+,77-,78-,81+/m1/s1
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277n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144767
PNG
(US8952128, 26)
Show SMILES C[C@@H](O)[C@@H]1NC(=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](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NCCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C78H102N16O9S/c1-48(95)69-77(103)92-63(39-49-20-6-3-7-21-49)70(96)83-34-17-15-29-60(82-36-37-104-47-52-38-57-56-27-18-31-59-68(56)54(45-86-59)43-67(57)94(2)46-52)71(97)87-62(32-19-35-84-78(80)81)72(98)89-64(40-50-22-8-4-9-23-50)74(100)90-65(41-51-24-10-5-11-25-51)75(101)91-66(42-53-44-85-58-28-13-12-26-55(53)58)76(102)88-61(73(99)93-69)30-14-16-33-79/h3-13,18,20-28,31,44-45,48,52,57,60-67,69,82,85-86,95H,14-17,19,29-30,32-43,46-47,79H2,1-2H3,(H,83,96)(H,87,97)(H,88,102)(H,89,98)(H,90,100)(H,91,101)(H,92,103)(H,93,99)(H4,80,81,84)/t48-,52-,57-,60-,61+,62+,63+,64+,65+,66-,67-,69+/m1/s1
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309n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144764
PNG
(US8952128, 23)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC1=O)NCCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C77H101N17O9S/c1-47(95)68-76(103)92-62(38-48-17-5-3-6-18-48)69(96)83-31-14-12-24-59(82-35-36-104-46-51-37-56-55-22-15-26-58-67(55)53(44-86-58)42-66(56)94(2)45-51)70(97)87-61(27-16-32-84-77(79)80)71(98)89-63(39-49-19-7-4-8-20-49)73(100)90-64(40-50-28-33-81-34-29-50)74(101)91-65(41-52-43-85-57-23-10-9-21-54(52)57)75(102)88-60(72(99)93-68)25-11-13-30-78/h3-10,15,17-23,26,28-29,33-34,43-44,47,51,56,59-66,68,82,85-86,95H,11-14,16,24-25,27,30-32,35-42,45-46,78H2,1-2H3,(H,83,96)(H,87,97)(H,88,102)(H,89,98)(H,90,100)(H,91,101)(H,92,103)(H,93,99)(H4,79,80,84)/t47-,51-,56-,59-,60+,61+,62+,63+,64+,65-,66-,68+/m1/s1
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328n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027844
PNG
(CHEMBL3338684)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C85H131N17O18/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-32-68(108)98-69(49(4)5)80(116)101-72(54(10)105)83(119)97-66(43-48(2)3)84(120)102-42-27-31-67(102)79(115)92-50(6)74(110)94-65(46-57-47-90-61-29-25-24-28-60(57)61)76(112)91-51(7)75(111)99-70(52(8)103)81(117)96-64(45-56-35-39-59(107)40-36-56)78(114)100-71(53(9)104)82(118)95-63(44-55-33-37-58(106)38-34-55)77(113)93-62(73(86)109)30-26-41-89-85(87)88/h24-25,28-29,33-40,47-54,62-67,69-72,90,103-107H,11-23,26-27,30-32,41-46H2,1-10H3,(H2,86,109)(H,91,112)(H,92,115)(H,93,113)(H,94,110)(H,95,118)(H,96,117)(H,97,119)(H,98,108)(H,99,111)(H,100,114)(H,101,116)(H4,87,88,89)/t50-,51-,52+,53+,54+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027842
PNG
(CHEMBL3338686)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C87H135N17O17/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(109)101-72(52(6)7)83(118)103-74(56(11)106)85(120)100-69(45-51(4)5)86(121)104-43-28-32-70(104)82(117)98-65(44-50(2)3)79(114)97-68(48-59-49-92-63-30-26-25-29-62(59)63)78(113)94-53(8)76(111)93-54(9)77(112)96-67(47-58-36-40-61(108)41-37-58)81(116)102-73(55(10)105)84(119)99-66(46-57-34-38-60(107)39-35-57)80(115)95-64(75(88)110)31-27-42-91-87(89)90/h25-26,29-30,34-41,49-56,64-70,72-74,92,105-108H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,88,110)(H,93,111)(H,94,113)(H,95,115)(H,96,112)(H,97,114)(H,98,117)(H,99,119)(H,100,120)(H,101,109)(H,102,116)(H,103,118)(H4,89,90,91)/t53-,54-,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027837
PNG
(CHEMBL3338687)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C82H133N17O17/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-34-65(104)95-66(48(6)7)77(112)98-69(53(12)102)80(115)94-63(42-47(4)5)81(116)99-40-29-33-64(99)76(111)92-60(41-46(2)3)74(109)91-62(44-55-45-87-58-31-27-26-30-57(55)58)73(108)88-49(8)71(106)96-67(51(10)100)78(113)89-50(9)72(107)97-68(52(11)101)79(114)93-61(43-54-35-37-56(103)38-36-54)75(110)90-59(70(83)105)32-28-39-86-82(84)85/h26-27,30-31,35-38,45-53,59-64,66-69,87,100-103H,13-25,28-29,32-34,39-44H2,1-12H3,(H2,83,105)(H,88,108)(H,89,113)(H,90,110)(H,91,109)(H,92,111)(H,93,114)(H,94,115)(H,95,104)(H,96,106)(H,97,107)(H,98,112)(H4,84,85,86)/t49-,50-,51+,52+,53+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69-/m0/s1
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n/an/an/an/a 96n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027836
PNG
(CHEMBL3338688)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C87H135N17O17/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(109)101-72(52(6)7)83(118)103-74(56(11)106)85(120)100-69(45-51(4)5)86(121)104-43-28-32-70(104)82(117)98-65(44-50(2)3)80(115)97-68(48-59-49-92-63-30-26-25-29-62(59)63)79(114)94-54(9)77(112)102-73(55(10)105)84(119)99-66(46-57-34-38-60(107)39-35-57)78(113)93-53(8)76(111)96-67(47-58-36-40-61(108)41-37-58)81(116)95-64(75(88)110)31-27-42-91-87(89)90/h25-26,29-30,34-41,49-56,64-70,72-74,92,105-108H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,88,110)(H,93,113)(H,94,114)(H,95,116)(H,96,111)(H,97,115)(H,98,117)(H,99,119)(H,100,120)(H,101,109)(H,102,112)(H,103,118)(H4,89,90,91)/t53-,54-,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027845
PNG
(CHEMBL3338683)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C86H135N17O18/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-32-69(109)100-70(50(6)7)82(118)103-73(55(12)106)85(121)97-64(42-48(2)3)77(113)92-51(8)75(111)95-65(43-49(4)5)79(115)96-68(46-58-47-91-62-30-27-26-29-61(58)62)78(114)93-52(9)76(112)101-71(53(10)104)83(119)99-67(45-57-35-39-60(108)40-36-57)81(117)102-72(54(11)105)84(120)98-66(44-56-33-37-59(107)38-34-56)80(116)94-63(74(87)110)31-28-41-90-86(88)89/h26-27,29-30,33-40,47-55,63-68,70-73,91,104-108H,13-25,28,31-32,41-46H2,1-12H3,(H2,87,110)(H,92,113)(H,93,114)(H,94,116)(H,95,111)(H,96,115)(H,97,121)(H,98,120)(H,99,119)(H,100,109)(H,101,112)(H,102,117)(H,103,118)(H4,88,89,90)/t51-,52-,53+,54+,55+,63-,64-,65-,66-,67-,68-,70-,71-,72-,73-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM50027834
PNG
(CHEMBL3338689)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C82H133N17O17/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-34-65(104)95-66(48(6)7)77(112)98-69(53(12)102)80(115)94-63(42-47(4)5)81(116)99-40-29-33-64(99)76(111)92-60(41-46(2)3)74(109)91-62(44-55-45-87-58-31-27-26-30-57(55)58)73(108)88-50(9)72(107)96-68(52(11)101)79(114)93-61(43-54-35-37-56(103)38-36-54)75(110)97-67(51(10)100)78(113)89-49(8)71(106)90-59(70(83)105)32-28-39-86-82(84)85/h26-27,30-31,35-38,45-53,59-64,66-69,87,100-103H,13-25,28-29,32-34,39-44H2,1-12H3,(H2,83,105)(H,88,108)(H,89,113)(H,90,106)(H,91,109)(H,92,111)(H,93,114)(H,94,115)(H,95,104)(H,96,107)(H,97,110)(H,98,112)(H4,84,85,86)/t49-,50-,51+,52+,53+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69-/m0/s1
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n/an/an/an/a 2.70n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forskolin-induced cAMP level incubated for 5 mins prior to forskolin chall...


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair