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Compile Data Set for Download or QSAR

Found 251 hits of ec50 data for polymerid = 49000892,49000894,49000895   
Target
(Institution)
LigandTarget
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
Oxytocin receptor


(HEK293)
BDBM50044742
PNG
(CHEMBL3354579)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(13-14-33(45)58)40(64)52-31(20-34(46)59)41(65)53-32(23-69-17-6-8-36(61)49-30(42(66)54-38)19-26-9-11-27(57)12-10-26)44(68)55(15-7-16-56)22-37(62)50-29(18-24(2)3)39(63)48-21-35(47)60/h9-12,24-25,28-32,38,56-57H,5-8,13-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,64)(H,53,65)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 0.0100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044771
PNG
(CHEMBL3353939)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1CCCC1
Show InChI InChI=1/C45H69N11O12S2/c1-5-25(4)39-44(67)52-29(14-15-34(46)58)41(64)53-32(20-35(47)59)42(65)54-33(23-70-69-17-16-37(61)50-31(43(66)55-39)19-26-10-12-28(57)13-11-26)45(68)56(27-8-6-7-9-27)22-38(62)51-30(18-24(2)3)40(63)49-21-36(48)60/h10-13,24-25,27,29-33,39,57H,5-9,14-23H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t25-,29-,30-,31-,32-,33-,39-/s2
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n/an/an/an/a 0.0100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044775
PNG
(CHEMBL3353930)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC1CC1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H67N11O12S2/c1-5-24(4)38-43(66)51-28(12-13-33(45)57)40(63)52-31(18-34(46)58)41(64)53-32(22-69-68-15-14-36(60)49-30(42(65)54-38)17-25-8-10-27(56)11-9-25)44(67)55(20-26-6-7-26)21-37(61)50-29(16-23(2)3)39(62)48-19-35(47)59/h8-11,23-24,26,28-32,38,56H,5-7,12-22H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,63)(H,53,64)(H,54,65)/t24-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 0.0100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044761
PNG
(CHEMBL3353948)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1
Show InChI InChI=1/C47H66FN11O12S2/c1-5-26(4)41-46(70)55-31(14-15-36(49)61)43(67)56-34(20-37(50)62)44(68)57-35(24-73-72-17-16-39(64)53-33(45(69)58-41)19-27-8-12-30(60)13-9-27)47(71)59(22-28-6-10-29(48)11-7-28)23-40(65)54-32(18-25(2)3)42(66)52-21-38(51)63/h6-13,25-26,31-35,41,60H,5,14-24H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t26-,31-,32-,33-,34-,35-,41-/s2
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n/an/an/an/a 0.0100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044773
PNG
(CHEMBL3353932)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1CCC1
Show InChI InChI=1/C44H67N11O12S2/c1-5-24(4)38-43(66)51-28(13-14-33(45)57)40(63)52-31(19-34(46)58)41(64)53-32(22-69-68-16-15-36(60)49-30(42(65)54-38)18-25-9-11-27(56)12-10-25)44(67)55(26-7-6-8-26)21-37(61)50-29(17-23(2)3)39(62)48-20-35(47)59/h9-12,23-24,26,28-32,38,56H,5-8,13-22H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,63)(H,53,64)(H,54,65)/t24-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 0.0100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044763
PNG
(CHEMBL3353946)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccc(C)c1
Show InChI InChI=1/C48H69N11O12S2/c1-6-28(5)42-47(70)55-32(14-15-37(49)61)44(67)56-35(21-38(50)62)45(68)57-36(25-73-72-17-16-40(64)53-34(46(69)58-42)20-29-10-12-31(60)13-11-29)48(71)59(23-30-9-7-8-27(4)19-30)24-41(65)54-33(18-26(2)3)43(66)52-22-39(51)63/h7-13,19,26,28,32-36,42,60H,6,14-18,20-25H2,1-5H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t28-,32-,33-,34-,35-,36-,42-/s2
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n/an/an/an/a 0.0100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044770
PNG
(CHEMBL3353940)
Show SMILES CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C46H73N11O12S2/c1-6-8-9-10-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-71-70-19-17-38(62)51-32(21-28-11-13-29(58)14-12-28)44(67)56-40(27(5)7-2)45(68)53-30(15-16-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h11-14,26-27,30-34,40,58H,6-10,15-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/s2
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n/an/an/an/a 0.0100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044752
PNG
(CHEMBL3353956)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccs1
Show InChI InChI=1/C45H65N11O12S3/c1-5-25(4)39-44(67)52-29(12-13-34(46)58)41(64)53-32(19-35(47)59)42(65)54-33(23-71-70-16-14-37(61)50-31(43(66)55-39)18-26-8-10-27(57)11-9-26)45(68)56(21-28-7-6-15-69-28)22-38(62)51-30(17-24(2)3)40(63)49-20-36(48)60/h6-11,15,24-25,29-33,39,57H,5,12-14,16-23H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t25-,29-,30-,31-,32-,33-,39-/s2
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n/an/an/an/a 0.0100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044727
PNG
(CHEMBL3354592)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccc(C)c1
Show InChI InChI=1/C49H71N11O12S/c1-6-29(5)43-48(71)56-33(14-15-38(50)62)45(68)58-37(23-39(51)63)46(69)57-34(16-18-73-19-17-41(65)54-36(47(70)59-43)22-30-10-12-32(61)13-11-30)49(72)60(25-31-9-7-8-28(4)21-31)26-42(66)55-35(20-27(2)3)44(67)53-24-40(52)64/h7-13,21,27,29,33-37,43,61H,6,14-20,22-26H2,1-5H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,69)(H,58,68)(H,59,70)/t29-,33-,34-,35-,36-,37-,43-/s2
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n/an/an/an/a 0.0200n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044754
PNG
(CHEMBL3353955)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccncc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C47H68N12O12S2/c1-5-27(4)41-46(70)55-31(10-11-36(48)61)43(67)56-34(22-37(49)62)44(68)57-35(25-73-72-19-15-39(64)53-33(45(69)58-41)21-29-6-8-30(60)9-7-29)47(71)59(18-14-28-12-16-51-17-13-28)24-40(65)54-32(20-26(2)3)42(66)52-23-38(50)63/h6-9,12-13,16-17,26-27,31-35,41,60H,5,10-11,14-15,18-25H2,1-4H3,(H2,48,61)(H2,49,62)(H2,50,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t27-,31-,32-,33-,34-,35-,41-/s2
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n/an/an/an/a 0.0200n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044750
PNG
(CHEMBL3354571)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1cccs1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C46H67N11O12S3/c1-5-26(4)40-45(68)53-30(12-13-35(47)59)42(65)54-33(21-36(48)60)43(66)55-34(24-72-71-18-15-38(62)51-32(44(67)56-40)20-27-8-10-28(58)11-9-27)46(69)57(16-14-29-7-6-17-70-29)23-39(63)52-31(19-25(2)3)41(64)50-22-37(49)61/h6-11,17,25-26,30-34,40,58H,5,12-16,18-24H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t26-,30-,31-,32-,33-,34-,40-/s2
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n/an/an/an/a 0.0200n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044768
PNG
(CHEMBL3353942)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C43H67N11O13S2/c1-6-24(4)37-42(65)50-27(11-12-32(44)56)39(62)51-30(19-33(45)57)40(63)52-31(22-69-68-16-13-35(59)48-29(41(64)53-37)18-25-7-9-26(55)10-8-25)43(66)54(14-15-67-5)21-36(60)49-28(17-23(2)3)38(61)47-20-34(46)58/h7-10,23-24,27-31,37,55H,6,11-22H2,1-5H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,61)(H,48,59)(H,49,60)(H,50,65)(H,51,62)(H,52,63)(H,53,64)/t24-,27-,28-,29-,30-,31-,37-/s2
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n/an/an/an/a 0.0300n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044731
PNG
(CHEMBL3354588)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccccc1
Show InChI InChI=1/C48H69N11O12S/c1-5-28(4)42-47(70)55-32(17-18-37(49)61)44(67)56-35(22-38(50)62)45(68)57-36(26-72-19-9-12-40(64)53-34(46(69)58-42)21-29-13-15-31(60)16-14-29)48(71)59(24-30-10-7-6-8-11-30)25-41(65)54-33(20-27(2)3)43(66)52-23-39(51)63/h6-8,10-11,13-16,27-28,32-36,42,60H,5,9,12,17-26H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t28-,32-,33-,34-,35-,36-,42-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044685
PNG
(CHEMBL3354595)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1
Show InChI InChI=1/C48H68FN11O12S/c1-5-27(4)42-47(71)56-32(14-15-37(50)62)44(68)58-36(22-38(51)63)45(69)57-33(16-18-73-19-17-40(65)54-35(46(70)59-42)21-28-8-12-31(61)13-9-28)48(72)60(24-29-6-10-30(49)11-7-29)25-41(66)55-34(20-26(2)3)43(67)53-23-39(52)64/h6-13,26-27,32-36,42,61H,5,14-25H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,69)(H,58,68)(H,59,70)/t27-,32-,33-,34-,35-,36-,42-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044683
PNG
(CHEMBL3354597)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C49H71N11O12S/c1-5-29(4)43-48(71)56-33(17-18-38(50)62)45(68)57-36(24-39(51)63)46(69)58-37(27-73-21-9-12-41(65)54-35(47(70)59-43)23-31-13-15-32(61)16-14-31)49(72)60(20-19-30-10-7-6-8-11-30)26-42(66)55-34(22-28(2)3)44(67)53-25-40(52)64/h6-8,10-11,13-16,28-29,33-37,43,61H,5,9,12,17-27H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t29-,33-,34-,35-,36-,37-,43-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50205990
PNG
(CHEMBL395429 | OXYTOCIN)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 d...


Bioorg Med Chem 24: 3513-20 (2016)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044676
PNG
(CHEMBL439044)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 d...


Bioorg Med Chem 24: 3513-20 (2016)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044682
PNG
(CHEMBL3354598)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C49H71N11O12S/c1-5-29(4)43-48(71)56-33(15-16-38(50)62)45(68)58-37(25-39(51)63)46(69)57-34(18-21-73-22-19-41(65)54-36(47(70)59-43)24-31-11-13-32(61)14-12-31)49(72)60(20-17-30-9-7-6-8-10-30)27-42(66)55-35(23-28(2)3)44(67)53-26-40(52)64/h6-14,28-29,33-37,43,61H,5,15-27H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,69)(H,58,68)(H,59,70)/t29-,33-,34-,35-,36-,37-,43-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044776
PNG
(CHEMBL3353929)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C1CC1
Show InChI InChI=1/C43H65N11O12S2/c1-5-23(4)37-42(65)50-27(12-13-32(44)56)39(62)51-30(18-33(45)57)40(63)52-31(21-68-67-15-14-35(59)48-29(41(64)53-37)17-24-6-10-26(55)11-7-24)43(66)54(25-8-9-25)20-36(60)49-28(16-22(2)3)38(61)47-19-34(46)58/h6-7,10-11,22-23,25,27-31,37,55H,5,8-9,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,61)(H,48,59)(H,49,60)(H,50,65)(H,51,62)(H,52,63)(H,53,64)/t23-,27-,28-,29-,30-,31-,37-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044730
PNG
(CHEMBL3354589)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccccc1
Show InChI InChI=1/C48H69N11O12S/c1-5-28(4)42-47(70)55-32(15-16-37(49)61)44(67)57-36(23-38(50)62)45(68)56-33(17-19-72-20-18-40(64)53-35(46(69)58-42)22-29-11-13-31(60)14-12-29)48(71)59(25-30-9-7-6-8-10-30)26-41(65)54-34(21-27(2)3)43(66)52-24-39(51)63/h6-14,27-28,32-36,42,60H,5,15-26H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,68)(H,57,67)(H,58,69)/t28-,32-,33-,34-,35-,36-,42-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044774
PNG
(CHEMBL3353931)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C44H69N11O12S2/c1-6-8-16-55(22-37(61)50-29(18-24(3)4)39(62)48-21-35(47)59)44(67)32-23-69-68-17-15-36(60)49-30(19-26-9-11-27(56)12-10-26)42(65)54-38(25(5)7-2)43(66)51-28(13-14-33(45)57)40(63)52-31(20-34(46)58)41(64)53-32/h9-12,24-25,28-32,38,56H,6-8,13-23H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,63)(H,53,64)(H,54,65)/t25-,28-,29-,30-,31-,32-,38-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044760
PNG
(CHEMBL3353949)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(OC)cc1
Show InChI InChI=1/C48H69N11O13S2/c1-6-27(4)42-47(70)55-32(15-16-37(49)61)44(67)56-35(21-38(50)62)45(68)57-36(25-74-73-18-17-40(64)53-34(46(69)58-42)20-28-7-11-30(60)12-8-28)48(71)59(23-29-9-13-31(72-5)14-10-29)24-41(65)54-33(19-26(2)3)43(66)52-22-39(51)63/h7-14,26-27,32-36,42,60H,6,15-25H2,1-5H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t27-,32-,33-,34-,35-,36-,42-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044780
PNG
(CHEMBL3353935)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1
Show InChI InChI=1/C46H71N11O13S/c1-6-25(5)39-45(68)52-29(14-15-35(47)59)41(64)53-32(20-36(48)60)42(65)55-33(23-71-16-8-9-38(62)51-31(43(66)56-39)18-26-10-12-28(13-11-26)70-7-2)46(69)57-22-27(58)19-34(57)44(67)54-30(17-24(3)4)40(63)50-21-37(49)61/h10-13,24-25,27,29-34,39,58H,6-9,14-23H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,63)(H,51,62)(H,52,68)(H,53,64)(H,54,67)(H,55,65)(H,56,66)/t25-,27-,29-,30-,31-,32-,33-,34-,39-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044732
PNG
(CHEMBL3354587)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C46H73N11O11S/c1-6-8-12-19-57(26-39(62)52-32(22-27(3)4)41(63)50-25-37(49)60)46(68)31-17-20-69-21-18-38(61)51-33(23-29-13-10-9-11-14-29)44(66)56-40(28(5)7-2)45(67)53-30(15-16-35(47)58)42(64)55-34(24-36(48)59)43(65)54-31/h9-11,13-14,27-28,30-34,40H,6-8,12,15-26H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,63)(H,51,61)(H,52,62)(H,53,67)(H,54,65)(H,55,64)(H,56,66)/t28-,30-,31-,32-,33-,34-,40-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044749
PNG
(CHEMBL3354572)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC1CCCO1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C45H69N11O13S2/c1-5-25(4)39-44(67)52-29(12-13-34(46)58)41(64)53-32(19-35(47)59)42(65)54-33(23-71-70-16-14-37(61)50-31(43(66)55-39)18-26-8-10-27(57)11-9-26)45(68)56(21-28-7-6-15-69-28)22-38(62)51-30(17-24(2)3)40(63)49-20-36(48)60/h8-11,24-25,28-33,39,57H,5-7,12-23H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t25-,28?,29-,30-,31-,32-,33-,39-/s2
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Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044728
PNG
(CHEMBL3354591)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccc(C)c1
Show InChI InChI=1/C49H71N11O12S/c1-6-29(5)43-48(71)56-33(16-17-38(50)62)45(68)57-36(22-39(51)63)46(69)58-37(26-73-18-8-11-41(65)54-35(47(70)59-43)21-30-12-14-32(61)15-13-30)49(72)60(24-31-10-7-9-28(4)20-31)25-42(66)55-34(19-27(2)3)44(67)53-23-40(52)64/h7,9-10,12-15,20,27,29,33-37,43,61H,6,8,11,16-19,21-26H2,1-5H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t29-,33-,34-,35-,36-,37-,43-/s2
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n/an/an/an/a 0.0800n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044686
PNG
(CHEMBL3354594)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1
Show InChI InChI=1/C48H68FN11O12S/c1-5-27(4)42-47(71)56-32(16-17-37(50)62)44(68)57-35(21-38(51)63)45(69)58-36(25-73-18-6-7-40(65)54-34(46(70)59-42)20-28-10-14-31(61)15-11-28)48(72)60(23-29-8-12-30(49)13-9-29)24-41(66)55-33(19-26(2)3)43(67)53-22-39(52)64/h8-15,26-27,32-36,42,61H,5-7,16-25H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t27-,32-,33-,34-,35-,36-,42-/s2
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n/an/an/an/a 0.0800n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044735
PNG
(CHEMBL3354584)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C45H71N11O11S/c1-6-8-18-56(25-38(61)51-31(21-26(3)4)40(62)49-24-36(48)59)45(67)30-16-19-68-20-17-37(60)50-32(22-28-12-10-9-11-13-28)43(65)55-39(27(5)7-2)44(66)52-29(14-15-34(46)57)41(63)54-33(23-35(47)58)42(64)53-30/h9-13,26-27,29-33,39H,6-8,14-25H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,62)(H,50,60)(H,51,61)(H,52,66)(H,53,64)(H,54,63)(H,55,65)/t27-,29-,30-,31-,32-,33-,39-/s2
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n/an/an/an/a 0.0900n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044680
PNG
(CHEMBL3354600)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccs1
Show InChI InChI=1/C46H67N11O12S2/c1-5-26(4)40-45(68)53-30(14-15-35(47)59)42(65)54-33(20-36(48)60)43(66)55-34(24-70-16-7-9-38(62)51-32(44(67)56-40)19-27-10-12-28(58)13-11-27)46(69)57(22-29-8-6-17-71-29)23-39(63)52-31(18-25(2)3)41(64)50-21-37(49)61/h6,8,10-13,17,25-26,30-34,40,58H,5,7,9,14-16,18-24H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t26-,30-,31-,32-,33-,34-,40-/s2
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n/an/an/an/a 0.0900n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044676
PNG
(CHEMBL439044)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C43H65N11O12S2/c1-5-23(4)36-42(65)49-26(12-13-32(44)56)38(61)50-29(19-33(45)57)39(62)52-30(21-68-67-16-14-35(59)48-28(40(63)53-36)18-24-8-10-25(55)11-9-24)43(66)54-15-6-7-31(54)41(64)51-27(17-22(2)3)37(60)47-20-34(46)58/h8-11,22-23,26-31,36,55H,5-7,12-21H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,65)(H,50,61)(H,51,64)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044734
PNG
(CHEMBL3354585)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C46H73N11O12S/c1-6-8-9-18-57(24-39(63)52-31(20-26(3)4)41(64)50-23-37(49)61)46(69)34-25-70-19-10-11-38(62)51-32(21-28-12-14-29(58)15-13-28)44(67)56-40(27(5)7-2)45(68)53-30(16-17-35(47)59)42(65)54-33(22-36(48)60)43(66)55-34/h12-15,26-27,30-34,40,58H,6-11,16-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,65)(H,55,66)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/s2
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n/an/an/an/a 0.110n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044746
PNG
(CHEMBL3354575)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O13S/c1-6-25(4)38-43(66)51-28(13-14-33(45)57)40(63)52-31(20-34(46)58)41(64)53-32(23-69-17-7-8-36(60)49-30(42(65)54-38)19-26-9-11-27(56)12-10-26)44(67)55(15-16-68-5)22-37(61)50-29(18-24(2)3)39(62)48-21-35(47)59/h9-12,24-25,28-32,38,56H,6-8,13-23H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,63)(H,53,64)(H,54,65)/t25-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 0.110n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044765
PNG
(CHEMBL3353944)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccccc1
Show InChI InChI=1/C47H67N11O12S2/c1-5-27(4)41-46(69)54-31(15-16-36(48)60)43(66)55-34(21-37(49)61)44(67)56-35(25-72-71-18-17-39(63)52-33(45(68)57-41)20-28-11-13-30(59)14-12-28)47(70)58(23-29-9-7-6-8-10-29)24-40(64)53-32(19-26(2)3)42(65)51-22-38(50)62/h6-14,26-27,31-35,41,59H,5,15-25H2,1-4H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,65)(H,52,63)(H,53,64)(H,54,69)(H,55,66)(H,56,67)(H,57,68)/t27-,31-,32-,33-,34-,35-,41-/s2
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n/an/an/an/a 0.110n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044751
PNG
(CHEMBL3354570)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccco1
Show InChI InChI=1/C45H65N11O13S2/c1-5-25(4)39-44(67)52-29(12-13-34(46)58)41(64)53-32(19-35(47)59)42(65)54-33(23-71-70-16-14-37(61)50-31(43(66)55-39)18-26-8-10-27(57)11-9-26)45(68)56(21-28-7-6-15-69-28)22-38(62)51-30(17-24(2)3)40(63)49-20-36(48)60/h6-11,15,24-25,29-33,39,57H,5,12-14,16-23H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t25-,29-,30-,31-,32-,33-,39-/s2
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n/an/an/an/a 0.110n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044764
PNG
(CHEMBL3353945)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccccc1C
Show InChI InChI=1/C48H69N11O12S2/c1-6-27(4)42-47(70)55-32(15-16-37(49)61)44(67)56-35(21-38(50)62)45(68)57-36(25-73-72-18-17-40(64)53-34(46(69)58-42)20-29-11-13-31(60)14-12-29)48(71)59(23-30-10-8-7-9-28(30)5)24-41(65)54-33(19-26(2)3)43(66)52-22-39(51)63/h7-14,26-27,32-36,42,60H,6,15-25H2,1-5H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t27-,32-,33-,34-,35-,36-,42-/s2
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n/an/an/an/a 0.120n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044738
PNG
(CHEMBL3354581)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C45H71N11O12S/c1-6-8-17-56(23-38(62)51-30(19-25(3)4)40(63)49-22-36(48)60)45(68)33-24-69-18-9-10-37(61)50-31(20-27-11-13-28(57)14-12-27)43(66)55-39(26(5)7-2)44(67)52-29(15-16-34(46)58)41(64)53-32(21-35(47)59)42(65)54-33/h11-14,25-26,29-33,39,57H,6-10,15-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/s2
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n/an/an/an/a 0.120n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044756
PNG
(CHEMBL3353953)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccc1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C48H69N11O12S2/c1-5-28(4)42-47(70)55-32(15-16-37(49)61)44(67)56-35(23-38(50)62)45(68)57-36(26-73-72-20-18-40(64)53-34(46(69)58-42)22-30-11-13-31(60)14-12-30)48(71)59(19-17-29-9-7-6-8-10-29)25-41(65)54-33(21-27(2)3)43(66)52-24-39(51)63/h6-14,27-28,32-36,42,60H,5,15-26H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t28-,32-,33-,34-,35-,36-,42-/s2
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n/an/an/an/a 0.120n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044755
PNG
(CHEMBL3353954)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCc1ccccn1)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C47H68N12O12S2/c1-5-27(4)41-46(70)55-31(13-14-36(48)61)43(67)56-34(22-37(49)62)44(68)57-35(25-73-72-19-16-39(64)53-33(45(69)58-41)21-28-9-11-30(60)12-10-28)47(71)59(18-15-29-8-6-7-17-51-29)24-40(65)54-32(20-26(2)3)42(66)52-23-38(50)63/h6-12,17,26-27,31-35,41,60H,5,13-16,18-25H2,1-4H3,(H2,48,61)(H2,49,62)(H2,50,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t27-,31-,32-,33-,34-,35-,41-/s2
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n/an/an/an/a 0.120n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044741
PNG
(CHEMBL3354580)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O13S/c1-5-25(4)38-43(67)51-28(11-12-33(45)58)40(64)53-32(21-34(46)59)41(65)52-29(13-17-69-18-14-36(61)49-31(42(66)54-38)20-26-7-9-27(57)10-8-26)44(68)55(15-6-16-56)23-37(62)50-30(19-24(2)3)39(63)48-22-35(47)60/h7-10,24-25,28-32,38,56-57H,5-6,11-23H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,62)(H,51,67)(H,52,65)(H,53,64)(H,54,66)/t25-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 0.130n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044772
PNG
(CHEMBL3353938)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C45H71N11O12S2/c1-6-8-9-17-56(23-38(62)51-30(19-25(3)4)40(63)49-22-36(48)60)45(68)33-24-70-69-18-16-37(61)50-31(20-27-10-12-28(57)13-11-27)43(66)55-39(26(5)7-2)44(67)52-29(14-15-34(46)58)41(64)53-32(21-35(47)59)42(65)54-33/h10-13,25-26,29-33,39,57H,6-9,14-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,64)(H,54,65)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/s2
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n/an/an/an/a 0.130n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044679
PNG
(CHEMBL3354601)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccs1
Show InChI InChI=1/C46H67N11O12S2/c1-5-26(4)40-45(68)53-30(12-13-35(47)59)42(65)55-34(21-36(48)60)43(66)54-31(14-17-70-18-15-38(62)51-33(44(67)56-40)20-27-8-10-28(58)11-9-27)46(69)57(23-29-7-6-16-71-29)24-39(63)52-32(19-25(2)3)41(64)50-22-37(49)61/h6-11,16,25-26,30-34,40,58H,5,12-15,17-24H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,66)(H,55,65)(H,56,67)/t26-,30-,31-,32-,33-,34-,40-/s2
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n/an/an/an/a 0.140n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044737
PNG
(CHEMBL3354582)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C45H71N11O12S/c1-6-8-17-56(24-38(62)51-31(20-25(3)4)40(63)49-23-36(48)60)45(68)30-15-18-69-19-16-37(61)50-32(21-27-9-11-28(57)12-10-27)43(66)55-39(26(5)7-2)44(67)52-29(13-14-34(46)58)41(64)54-33(22-35(47)59)42(65)53-30/h9-12,25-26,29-33,39,57H,6-8,13-24H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,67)(H,53,65)(H,54,64)(H,55,66)/t26-,29-,30-,31-,32-,33-,39-/s2
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n/an/an/an/a 0.140n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044762
PNG
(CHEMBL3353947)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(C)cc1
Show InChI InChI=1/C48H69N11O12S2/c1-6-28(5)42-47(70)55-32(15-16-37(49)61)44(67)56-35(21-38(50)62)45(68)57-36(25-73-72-18-17-40(64)53-34(46(69)58-42)20-29-11-13-31(60)14-12-29)48(71)59(23-30-9-7-27(4)8-10-30)24-41(65)54-33(19-26(2)3)43(66)52-22-39(51)63/h7-14,26,28,32-36,42,60H,6,15-25H2,1-5H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,66)(H,53,64)(H,54,65)(H,55,70)(H,56,67)(H,57,68)(H,58,69)/t28-,32-,33-,34-,35-,36-,42-/s2
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n/an/an/an/a 0.150n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044745
PNG
(CHEMBL3354576)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O13S/c1-6-25(4)38-43(66)51-28(11-12-33(45)57)40(63)53-32(21-34(46)58)41(64)52-29(13-17-69-18-14-36(60)49-31(42(65)54-38)20-26-7-9-27(56)10-8-26)44(67)55(15-16-68-5)23-37(61)50-30(19-24(2)3)39(62)48-22-35(47)59/h7-10,24-25,28-32,38,56H,6,11-23H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,64)(H,53,63)(H,54,65)/t25-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 0.160n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044779
PNG
(CHEMBL3353936)
Show SMILES CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)OC)cc1
Show InChI InChI=1/C47H73N11O13S/c1-7-26(5)40-46(68)53-30(15-16-36(48)59)42(64)54-33(21-37(49)60)43(65)56-34(24-72-17-9-10-39(62)52-32(44(66)57-40)19-27-11-13-28(14-12-27)71-8-2)47(69)58-23-29(70-6)20-35(58)45(67)55-31(18-25(3)4)41(63)51-22-38(50)61/h11-14,25-26,29-35,40H,7-10,15-24H2,1-6H3,(H2,48,59)(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,68)(H,54,64)(H,55,67)(H,56,65)(H,57,66)/t26-,29-,30-,31-,32-,33-,34-,35-,40-/s2
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n/an/an/an/a 0.210n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044684
PNG
(CHEMBL3354596)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1
Show InChI InChI=1/C48H68FN11O11S/c1-5-28(4)42-47(70)56-32(15-16-37(50)61)44(67)58-36(23-38(51)62)45(68)57-33(17-19-72-20-18-40(64)54-35(46(69)59-42)22-29-9-7-6-8-10-29)48(71)60(25-30-11-13-31(49)14-12-30)26-41(65)55-34(21-27(2)3)43(66)53-24-39(52)63/h6-14,27-28,32-36,42H,5,15-26H2,1-4H3,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,66)(H,54,64)(H,55,65)(H,56,70)(H,57,68)(H,58,67)(H,59,69)/t28-,32-,33-,34-,35-,36-,42-/s2
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n/an/an/an/a 0.230n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044736
PNG
(CHEMBL3354583)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C45H71N11O11S/c1-6-8-18-56(24-38(61)51-30(20-26(3)4)40(62)49-23-36(48)59)45(67)33-25-68-19-12-15-37(60)50-31(21-28-13-10-9-11-14-28)43(65)55-39(27(5)7-2)44(66)52-29(16-17-34(46)57)41(63)53-32(22-35(47)58)42(64)54-33/h9-11,13-14,26-27,29-33,39H,6-8,12,15-25H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,62)(H,50,60)(H,51,61)(H,52,66)(H,53,63)(H,54,64)(H,55,65)/t27-,29-,30-,31-,32-,33-,39-/s2
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n/an/an/an/a 0.230n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044733
PNG
(CHEMBL3354586)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
Show InChI InChI=1/C46H73N11O12S/c1-6-8-9-18-57(25-39(63)52-32(21-26(3)4)41(64)50-24-37(49)61)46(69)31-16-19-70-20-17-38(62)51-33(22-28-10-12-29(58)13-11-28)44(67)56-40(27(5)7-2)45(68)53-30(14-15-35(47)59)42(65)55-34(23-36(48)60)43(66)54-31/h10-13,26-27,30-34,40,58H,6-9,14-25H2,1-5H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,50,64)(H,51,62)(H,52,63)(H,53,68)(H,54,66)(H,55,65)(H,56,67)/t27-,30-,31-,32-,33-,34-,40-/s2
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n/an/an/an/a 0.25n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50180162
PNG
(CHEMBL3813771)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H67N11O12S2/c1-6-24(4)37-42(65)50-27(13-14-33(45)57)39(62)52-30(20-34(46)58)43(66)54(5)32(22-69-68-17-15-36(60)49-29(40(63)53-37)19-25-9-11-26(56)12-10-25)44(67)55-16-7-8-31(55)41(64)51-28(18-23(2)3)38(61)48-21-35(47)59/h9-12,23-24,27-32,37,56H,6-8,13-22H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,65)(H,51,64)(H,52,62)(H,53,63)/t24-,27-,28-,29-,30-,31-,32-,37-/s2
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n/an/an/an/a 0.290n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 90 sec by fluo-4 d...


Bioorg Med Chem 24: 3513-20 (2016)

More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044678
PNG
(CHEMBL3354602)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1cccs1
Show InChI InChI=1/C46H67N11O11S2/c1-5-27(4)40-45(67)53-30(13-14-35(47)58)42(64)55-34(22-36(48)59)43(65)54-31(15-18-69-19-16-38(61)51-33(44(66)56-40)21-28-10-7-6-8-11-28)46(68)57(24-29-12-9-17-70-29)25-39(62)52-32(20-26(2)3)41(63)50-23-37(49)60/h6-12,17,26-27,30-34,40H,5,13-16,18-25H2,1-4H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,63)(H,51,61)(H,52,62)(H,53,67)(H,54,65)(H,55,64)(H,56,66)/t27-,30-,31-,32-,33-,34-,40-/s2
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n/an/an/an/a 0.300n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human oxytocin receptor expressed in CHO-K1 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)

More data for this
Ligand-Target Pair
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