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30 similar compounds to monomer 50044734

Compile data set for download or QSAR
Wt: 1227.4
BDBM50129422
Wt: 1273.4
BDBM50080119
Wt: 1259.4
BDBM50080123
Wt: 1201.3
BDBM50080124
Wt: 1259.4
BDBM50124303
Wt: 990.1
BDBM50332723
Wt: 976.1
BDBM50332726
Wt: 974.1
BDBM50044736
Wt: 990.1
BDBM50044737
Wt: 990.1
BDBM50044738
Wt: 976.1
BDBM50044740
Wt: 992.1
BDBM50044741
Wt: 992.1
BDBM50044742
Wt: 976.1
BDBM50044744
Wt: 992.1
BDBM50044745
Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 50129422,50080119,50080123,50080124,50124303,50332723,50332726,50044736,50044737,50044738,50044740,50044741,50044742,50044744,50044745   
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
Oxytocin receptor


(HEK293)
BDBM50332723
PNG
(CHEMBL1630531 | Cystathionine Oxytocin)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(N)CCSCC(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(O)=O
Show InChI InChI=1/C44H67N11O13S/c1-5-23(4)36-43(67)49-27(12-13-33(46)57)39(63)51-30(19-34(47)58)40(64)53-31(21-69-16-14-26(45)37(61)50-29(41(65)54-36)18-24-8-10-25(56)11-9-24)44(68)55-15-6-7-32(55)42(66)52-28(17-22(2)3)38(62)48-20-35(59)60/h8-11,22-23,26-32,36,56H,5-7,12-21,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,62)(H,49,67)(H,50,61)(H,51,63)(H,52,66)(H,53,64)(H,54,65)(H,59,60)/t23-,26?,27-,28-,29-,30-,31?,32-,36-/s2
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1.5n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells


J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50332726
PNG
(CHEMBL1630530 | Lanthionine Oxytocin)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(N)CSCC(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(O)=O
Show InChI InChI=1/C43H65N11O13S/c1-5-22(4)35-42(66)48-26(12-13-32(45)56)38(62)50-29(17-33(46)57)39(63)52-30(20-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-34(58)59/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25?,26-,27-,28-,29-,30?,31-,35-/s2
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856n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells


J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50332726
PNG
(CHEMBL1630530 | Lanthionine Oxytocin)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(N)CSCC(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(O)=O
Show InChI InChI=1/C43H65N11O13S/c1-5-22(4)35-42(66)48-26(12-13-32(45)56)38(62)50-29(17-33(46)57)39(63)52-30(20-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-34(58)59/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25?,26-,27-,28-,29-,30?,31-,35-/s2
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1.55E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]OT from oxytocin receptor expressed in COS1 cells


J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50080124
PNG
(CHEMBL407228 | Cyclo peptide analogue)
Show SMILES CSCC[C@H]1NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)CSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C53H76N12O16S2/c1-26(2)19-35-49(77)62-36(20-29-7-11-31(66)12-8-29)50(78)59-33(15-16-43(71)72)47(75)63-38(22-40(54)68)52(80)65-44(27(3)4)53(81)56-23-41(69)58-34(17-18-82-6)48(76)61-37(21-30-9-13-32(67)14-10-30)51(79)64-39(45(55)73)24-83-25-42(70)57-28(5)46(74)60-35/h7-14,26-28,33-39,44,66-67H,15-25H2,1-6H3,(H2,54,68)(H2,55,73)(H,56,81)(H,57,70)(H,58,69)(H,59,78)(H,60,74)(H,61,76)(H,62,77)(H,63,75)(H,64,79)(H,65,80)(H,71,72)/t28-,33-,34-,35-,36-,37-,38-,39-,44-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Growth factor receptor bound protein 2


Bioorg Med Chem Lett 9: 2267-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00379-0
BindingDB Entry DOI: 10.7270/Q2VH5N1R
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50124303
PNG
(3-[16-carbamoyl-31-carbamoylmethyl-10-(2-carboxyet...)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C55H78N12O18S2/c1-27(2)20-36-51(81)64-37(21-29-6-10-31(68)11-7-29)52(82)61-34(15-17-45(75)76)49(79)65-39(23-41(56)70)54(84)67-46(28(3)4)55(85)58-24-42(71)59-35(18-19-86-5)50(80)63-38(22-30-8-12-32(69)13-9-30)53(83)66-40(47(57)77)25-87-26-43(72)60-33(48(78)62-36)14-16-44(73)74/h6-13,27-28,33-40,46,68-69H,14-26H2,1-5H3,(H2,56,70)(H2,57,77)(H,58,85)(H,59,71)(H,60,72)(H,61,82)(H,62,78)(H,63,80)(H,64,81)(H,65,79)(H,66,83)(H,67,84)(H,73,74)(H,75,76)/t33-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1
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n/an/a>1.00E+8n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA


Bioorg Med Chem Lett 13: 895-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00015-5
BindingDB Entry DOI: 10.7270/Q2SF2VH2
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50129422
PNG
(CHEMBL2369460 | cyclic ((N-AC)Glu Leu Tyr Glu Asn ...)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C55H78N12O16S2/c1-28(2)21-36-50(78)64-39(23-31-10-14-33(69)15-11-31)55(83)67-19-6-7-41(67)53(81)63-38(24-42(56)70)52(80)66-46(29(3)4)54(82)58-25-43(71)59-35(18-20-84-5)49(77)62-37(22-30-8-12-32(68)13-9-30)51(79)65-40(47(57)75)26-85-27-44(72)60-34(48(76)61-36)16-17-45(73)74/h8-15,28-29,34-41,46,68-69H,6-7,16-27H2,1-5H3,(H2,56,70)(H2,57,75)(H,58,82)(H,59,71)(H,60,72)(H,61,76)(H,62,77)(H,63,81)(H,64,78)(H,65,79)(H,66,80)(H,73,74)/t34-,35-,36-,37-,38-,39-,40-,41-,46-/m0/s1
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n/an/a 7.83E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity against Growth factor receptor bound protein 2 using ELISA assay


Bioorg Med Chem Lett 13: 2173-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00385-8
BindingDB Entry DOI: 10.7270/Q25Q4VGJ
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)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
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)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
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)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044740
PNG
(CHEMBL3352839)
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(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O12S/c1-5-26(4)38-43(66)51-28(12-13-33(45)57)40(63)53-32(22-34(46)58)41(64)52-29(14-18-68-19-15-36(60)49-31(42(65)54-38)21-27-10-7-6-8-11-27)44(67)55(16-9-17-56)24-37(61)50-30(20-25(2)3)39(62)48-23-35(47)59/h6-8,10-11,25-26,28-32,38,56H,5,9,12-24H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,64)(H,53,63)(H,54,65)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 0.860n/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)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
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)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50044744
PNG
(CHEMBL3354577)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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/C44H69N11O12S/c1-6-26(4)38-43(65)51-28(14-15-33(45)56)40(62)52-31(21-34(46)57)41(63)53-32(24-68-18-10-13-36(59)49-30(42(64)54-38)20-27-11-8-7-9-12-27)44(66)55(16-17-67-5)23-37(60)50-29(19-25(2)3)39(61)48-22-35(47)58/h7-9,11-12,25-26,28-32,38H,6,10,13-24H2,1-5H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,61)(H,49,59)(H,50,60)(H,51,65)(H,52,62)(H,53,63)(H,54,64)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 0.960n/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)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
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)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
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 52n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50044744
PNG
(CHEMBL3354577)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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/C44H69N11O12S/c1-6-26(4)38-43(65)51-28(14-15-33(45)56)40(62)52-31(21-34(46)57)41(63)53-32(24-68-18-10-13-36(59)49-30(42(64)54-38)20-27-11-8-7-9-12-27)44(66)55(16-17-67-5)23-37(60)50-29(19-25(2)3)39(61)48-22-35(47)58/h7-9,11-12,25-26,28-32,38H,6,10,13-24H2,1-5H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,61)(H,49,59)(H,50,60)(H,51,65)(H,52,62)(H,53,63)(H,54,64)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 1.10E+3n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
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 500n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
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 150n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50044740
PNG
(CHEMBL3352839)
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(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O12S/c1-5-26(4)38-43(66)51-28(12-13-33(45)57)40(63)53-32(22-34(46)58)41(64)52-29(14-18-68-19-15-36(60)49-31(42(65)54-38)21-27-10-7-6-8-11-27)44(67)55(16-9-17-56)24-37(61)50-30(20-25(2)3)39(62)48-23-35(47)59/h6-8,10-11,25-26,28-32,38,56H,5,9,12-24H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,64)(H,53,63)(H,54,65)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a 2.60E+3n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
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 73n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
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 18n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
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 2.00E+3n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V2 expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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/a 990n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044744
PNG
(CHEMBL3354577)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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/C44H69N11O12S/c1-6-26(4)38-43(65)51-28(14-15-33(45)56)40(62)52-31(21-34(46)57)41(63)53-32(24-68-18-10-13-36(59)49-30(42(64)54-38)20-27-11-8-7-9-12-27)44(66)55(16-17-67-5)23-37(60)50-29(19-25(2)3)39(61)48-22-35(47)58/h7-9,11-12,25-26,28-32,38H,6,10,13-24H2,1-5H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,61)(H,49,59)(H,50,60)(H,51,65)(H,52,62)(H,53,63)(H,54,64)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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/a 1.40E+3n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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/a 1.80E+3n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044740
PNG
(CHEMBL3352839)
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(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O12S/c1-5-26(4)38-43(66)51-28(12-13-33(45)57)40(63)53-32(22-34(46)58)41(64)52-29(14-18-68-19-15-36(60)49-31(42(65)54-38)21-27-10-7-6-8-11-27)44(67)55(16-9-17-56)24-37(61)50-30(20-25(2)3)39(62)48-23-35(47)59/h6-8,10-11,25-26,28-32,38,56H,5,9,12-24H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,64)(H,53,63)(H,54,65)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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/a>1.00E+4n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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/a>1.00E+4n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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/a 300n/an/an/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin V1a expressed in AVP-stimulated HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044744
PNG
(CHEMBL3354577)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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/C44H69N11O12S/c1-6-26(4)38-43(65)51-28(14-15-33(45)56)40(62)52-31(21-34(46)57)41(63)53-32(24-68-18-10-13-36(59)49-30(42(64)54-38)20-27-11-8-7-9-12-27)44(66)55(16-17-67-5)23-37(60)50-29(19-25(2)3)39(61)48-22-35(47)58/h7-9,11-12,25-26,28-32,38H,6,10,13-24H2,1-5H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,61)(H,49,59)(H,50,60)(H,51,65)(H,52,62)(H,53,63)(H,54,64)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50044740
PNG
(CHEMBL3352839)
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(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O12S/c1-5-26(4)38-43(66)51-28(12-13-33(45)57)40(63)53-32(22-34(46)58)41(64)52-29(14-18-68-19-15-36(60)49-31(42(65)54-38)21-27-10-7-6-8-11-27)44(67)55(16-9-17-56)24-37(61)50-30(20-25(2)3)39(62)48-23-35(47)59/h6-8,10-11,25-26,28-32,38,56H,5,9,12-24H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,64)(H,53,63)(H,54,65)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1a expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
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 830n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50044744
PNG
(CHEMBL3354577)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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/C44H69N11O12S/c1-6-26(4)38-43(65)51-28(14-15-33(45)56)40(62)52-31(21-34(46)57)41(63)53-32(24-68-18-10-13-36(59)49-30(42(64)54-38)20-27-11-8-7-9-12-27)44(66)55(16-17-67-5)23-37(60)50-29(19-25(2)3)39(61)48-22-35(47)58/h7-9,11-12,25-26,28-32,38H,6,10,13-24H2,1-5H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,61)(H,49,59)(H,50,60)(H,51,65)(H,52,62)(H,53,63)(H,54,64)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
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>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50044740
PNG
(CHEMBL3352839)
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(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O
Show InChI InChI=1/C44H69N11O12S/c1-5-26(4)38-43(66)51-28(12-13-33(45)57)40(63)53-32(22-34(46)58)41(64)52-29(14-18-68-19-15-36(60)49-31(42(65)54-38)21-27-10-7-6-8-11-27)44(67)55(16-9-17-56)24-37(61)50-30(20-25(2)3)39(62)48-23-35(47)59/h6-8,10-11,25-26,28-32,38,56H,5,9,12-24H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,66)(H,52,64)(H,53,63)(H,54,65)/t26-,28-,29-,30-,31-,32-,38-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
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 820n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
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 450n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human vasopressin V1b expressed in HEK293 cells after 5 hrs by firefly luciferase reporter gene assay


J Med Chem 57: 5306-17 (2014)


Article DOI: 10.1021/jm500365s
BindingDB Entry DOI: 10.7270/Q2WD426V
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50332723
PNG
(CHEMBL1630531 | Cystathionine Oxytocin)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(N)CCSCC(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(O)=O
Show InChI InChI=1/C44H67N11O13S/c1-5-23(4)36-43(67)49-27(12-13-33(46)57)39(63)51-30(19-34(47)58)40(64)53-31(21-69-16-14-26(45)37(61)50-29(41(65)54-36)18-24-8-10-25(56)11-9-24)44(68)55-15-6-7-32(55)42(66)52-28(17-22(2)3)38(62)48-20-35(59)60/h8-11,22-23,26-32,36,56H,5-7,12-21,45H2,1-4H3,(H2,46,57)(H2,47,58)(H,48,62)(H,49,67)(H,50,61)(H,51,63)(H,52,66)(H,53,64)(H,54,65)(H,59,60)/t23-,26?,27-,28-,29-,30-,31?,32-,36-/s2
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n/an/an/an/a 32n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Activity at oxytocin receptor expressed in COS1 cells assessed as IP-one generation by HTRF assay


J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50332726
PNG
(CHEMBL1630530 | Lanthionine Oxytocin)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(N)CSCC(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(O)=O
Show InChI InChI=1/C43H65N11O13S/c1-5-22(4)35-42(66)48-26(12-13-32(45)56)38(62)50-29(17-33(46)57)39(63)52-30(20-68-19-25(44)36(60)49-28(40(64)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-31(54)41(65)51-27(15-21(2)3)37(61)47-18-34(58)59/h8-11,21-22,25-31,35,55H,5-7,12-20,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,61)(H,48,66)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H,58,59)/t22-,25?,26-,27-,28-,29-,30?,31-,35-/s2
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n/an/an/an/a>1.00E+5n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Activity at oxytocin receptor expressed in COS1 cells assessed as IP-one generation by HTRF assay


J Med Chem 53: 8585-96 (2010)


Article DOI: 10.1021/jm100989w
BindingDB Entry DOI: 10.7270/Q2CC10X9
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50124303
PNG
(3-[16-carbamoyl-31-carbamoylmethyl-10-(2-carboxyet...)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C55H78N12O18S2/c1-27(2)20-36-51(81)64-37(21-29-6-10-31(68)11-7-29)52(82)61-34(15-17-45(75)76)49(79)65-39(23-41(56)70)54(84)67-46(28(3)4)55(85)58-24-42(71)59-35(18-19-86-5)50(80)63-38(22-30-8-12-32(69)13-9-30)53(83)66-40(47(57)77)25-87-26-43(72)60-33(48(78)62-36)14-16-44(73)74/h6-13,27-28,33-40,46,68-69H,14-26H2,1-5H3,(H2,56,70)(H2,57,77)(H,58,85)(H,59,71)(H,60,72)(H,61,82)(H,62,78)(H,63,80)(H,64,81)(H,65,79)(H,66,83)(H,67,84)(H,73,74)(H,75,76)/t33-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1
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n/an/an/a 2.50E+4n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assay


Bioorg Med Chem Lett 19: 2693-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.134
BindingDB Entry DOI: 10.7270/Q2862HC2
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (Human))
BDBM50124303
PNG
(3-[16-carbamoyl-31-carbamoylmethyl-10-(2-carboxyet...)
Show SMILES CSCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)C(C)C
Show InChI InChI=1S/C55H78N12O18S2/c1-27(2)20-36-51(81)64-37(21-29-6-10-31(68)11-7-29)52(82)61-34(15-17-45(75)76)49(79)65-39(23-41(56)70)54(84)67-46(28(3)4)55(85)58-24-42(71)59-35(18-19-86-5)50(80)63-38(22-30-8-12-32(69)13-9-30)53(83)66-40(47(57)77)25-87-26-43(72)60-33(48(78)62-36)14-16-44(73)74/h6-13,27-28,33-40,46,68-69H,14-26H2,1-5H3,(H2,56,70)(H2,57,77)(H,58,85)(H,59,71)(H,60,72)(H,61,82)(H,62,78)(H,63,80)(H,64,81)(H,65,79)(H,66,83)(H,67,84)(H,73,74)(H,75,76)/t33-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assay


Bioorg Med Chem Lett 19: 2693-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.134
BindingDB Entry DOI: 10.7270/Q2862HC2
More data for this
Ligand-Target Pair
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