Found 253 hits of ec50 data for polymerid = 11220 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50044777
(Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...)Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 | UniProtKB/SwissProt
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MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.00350 | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50205990
(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 |r| 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 | UniProtKB/SwissProt
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KEGG
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| Article
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| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Kanazawa University
Curated by ChEMBL
| Assay Description
Agonist activity at human V1B receptor expressed in HEK293 cells assessed as intracellular calcium level measured at 3 secs interval for 5 mins by fu... |
Bioorg Med Chem 27: 3358-3363 (2019)
Article DOI: 10.1016/j.bmc.2019.06.018
BindingDB Entry DOI: 10.7270/Q2N87F60 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50205990
(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 |r| 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 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 0.240 | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50523555
(CHEMBL4474284)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)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1 |r| Show InChI InChI=1S/C47H67FN12O12S2/c1-5-25(4)40-46(71)55-31(14-15-36(50)62)43(68)57-34(18-37(51)63)44(69)58-35(23-74-73-22-30(49)41(66)56-33(45(70)59-40)17-26-8-12-29(61)13-9-26)47(72)60(20-27-6-10-28(48)11-7-27)21-39(65)54-32(16-24(2)3)42(67)53-19-38(52)64/h6-13,24-25,30-35,40,61H,5,14-23,49H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,71)(H,56,66)(H,57,68)(H,58,69)(H,59,70)/t25-,30-,31-,32-,33-,34-,35-,40-/m0/s1 | UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50523556
(CHEMBL4458988)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[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 |r| Show InChI InChI=1S/C48H69FN12O12S/c1-5-26(4)41-47(72)56-32(14-15-37(51)63)44(69)58-35(20-38(52)64)45(70)59-36(24-74-17-16-31(50)42(67)57-34(46(71)60-41)19-27-8-12-30(62)13-9-27)48(73)61(22-28-6-10-29(49)11-7-28)23-40(66)55-33(18-25(2)3)43(68)54-21-39(53)65/h6-13,25-26,31-36,41,62H,5,14-24,50H2,1-4H3,(H2,51,63)(H2,52,64)(H2,53,65)(H,54,68)(H,55,66)(H,56,72)(H,57,67)(H,58,69)(H,59,70)(H,60,71)/t26-,31-,32-,33-,34-,35-,36-,41-/m0/s1 | UniProtKB/SwissProt
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| PC cid
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UniChem
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| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50342028
(2-((S)-6-amino-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C47H66N10O12S2/c1-27(2)21-32-42(64)55-35(24-38(49)59)45(67)56-36(47(69)57-19-8-12-37(57)46(68)52-31(11-6-7-18-48)41(63)50-25-40(61)62)26-71-70-20-17-39(60)51-33(23-29-13-15-30(58)16-14-29)43(65)54-34(44(66)53-32)22-28-9-4-3-5-10-28/h3-5,9-10,13-16,27,31-37,58H,6-8,11-12,17-26,48H2,1-2H3,(H2,49,59)(H,50,63)(H,51,60)(H,52,68)(H,53,66)(H,54,65)(H,55,64)(H,56,67)(H,61,62)/t31-,32-,33-,34-,35-,36-,37-/m0/s1 | UniProtKB/SwissProt
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PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Agonist activity at human vasopressin V1b receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol ph... |
J Med Chem 54: 2864-77 (2011)
Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50342029
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccccc1N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H71N11O13S2/c1-31(2)25-38-49(73)63-41(28-44(56)67)52(76)64-42(30-80-79-24-21-45(68)59-39(27-33-17-19-34(66)20-18-33)50(74)62-40(51(75)61-38)26-32-11-4-3-5-12-32)54(78)65-23-10-16-43(65)53(77)60-37(48(72)58-29-46(69)70)15-8-9-22-57-47(71)35-13-6-7-14-36(35)55/h3-7,11-14,17-20,31,37-43,66H,8-10,15-16,21-30,55H2,1-2H3,(H2,56,67)(H,57,71)(H,58,72)(H,59,68)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,69,70)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Binding affinity to human vasopressin V1b receptor expressed CHO cells after 1 hr by spectrofluorimetry analysis |
J Med Chem 54: 2864-77 (2011)
Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50342029
(2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccccc1N)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H71N11O13S2/c1-31(2)25-38-49(73)63-41(28-44(56)67)52(76)64-42(30-80-79-24-21-45(68)59-39(27-33-17-19-34(66)20-18-33)50(74)62-40(51(75)61-38)26-32-11-4-3-5-12-32)54(78)65-23-10-16-43(65)53(77)60-37(48(72)58-29-46(69)70)15-8-9-22-57-47(71)35-13-6-7-14-36(35)55/h3-7,11-14,17-20,31,37-43,66H,8-10,15-16,21-30,55H2,1-2H3,(H2,56,67)(H,57,71)(H,58,72)(H,59,68)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,69,70)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 | UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 2.48 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Agonist activity at human vasopressin V1b receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol ph... |
J Med Chem 54: 2864-77 (2011)
Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50044777
(Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...)Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 | UniProtKB/SwissProt
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KEGG
PC cid
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| Article
PubMed
| n/a | n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/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)) | BDBM50044677
(CHEBI:59204 | Carbetocin)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[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)[C@@H](C)CC Show InChI InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a |
Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50342030
(CHEMBL1765665 | triethylamine hemi(2-((S)-2-((S)-1...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(N)c(c2oc2c(c(=[NH2+])ccc12)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCC(O)=O |r,wU:19.20,4.3,54.58,wD:8.8,40.42,58.61,36.50,(11.79,6.5,;11.79,4.96,;13.13,4.18,;10.45,4.18,;10.45,2.64,;9.11,1.87,;7.78,2.64,;7.78,4.18,;6.44,1.87,;6.44,.33,;7.78,-.45,;9.11,.33,;10.45,-.45,;10.45,-1.99,;9.11,-2.77,;7.78,-1.99,;5.1,2.64,;3.76,1.87,;3.76,.33,;2.42,2.64,;2.42,4.18,;3.76,4.96,;5.1,4.18,;6.44,4.96,;6.44,6.5,;7.78,7.28,;5.1,7.28,;3.76,6.5,;1.09,1.87,;-.25,1.1,;-1.58,1.87,;-.25,-.44,;-1.58,-2.38,;9.79,-6.18,;19.65,-1.87,;18.5,-.42,;18.48,1.12,;17.14,1.87,;15.8,2.64,;15.8,4.18,;14.47,1.87,;14.39,.33,;15.68,-.52,;17.06,.19,;15.6,-2.05,;13.13,2.64,;11.79,1.87,;11.79,.33,;19.8,1.9,;19.79,3.44,;21.15,1.15,;21.61,2.74,;23.28,2.8,;23.84,1.25,;22.49,.51,;22.54,-1.01,;21.2,-1.73,;23.84,-1.8,;23.8,-3.33,;22.46,-4.06,;22.41,-5.58,;21.07,-6.31,;21.03,-7.83,;19.69,-8.56,;18.36,-7.77,;18.38,-6.23,;17.02,-8.53,;16.99,-10.07,;15.65,-10.82,;14.33,-10.02,;14.35,-8.49,;15.68,-7.74,;13.59,-7.15,;14.38,-5.83,;12.05,-7.14,;12.98,-10.78,;12.96,-12.31,;14.29,-13.1,;14.26,-14.64,;12.92,-15.39,;12.9,-16.93,;11.59,-14.6,;11.61,-13.07,;10.28,-12.28,;10.31,-10.73,;8.99,-9.95,;9.01,-8.42,;7.68,-7.63,;10.35,-7.66,;11.67,-8.45,;11.65,-9.98,;7.65,-10.71,;6.32,-9.92,;6.86,-12.03,;8.4,-12.05,;10.25,-15.36,;8.93,-14.58,;9.47,-16.69,;11.01,-16.7,;25.09,-4.13,;26.44,-3.4,;25.05,-5.65,;26.35,-6.45,;26.31,-7.97,;27.61,-8.77,;24.97,-8.7,)| Show InChI InChI=1S/C68H78N12O22S4/c1-34(2)27-46-62(88)78-49(31-52(71)82)65(91)79-50(33-104-103-26-23-53(83)74-47(29-36-13-16-38(81)17-14-36)63(89)77-48(64(90)76-46)28-35-9-4-3-5-10-35)67(93)80-25-8-12-51(80)66(92)75-45(61(87)73-32-54(84)85)11-6-7-24-72-60(86)37-15-18-39(42(30-37)68(94)95)55-40-19-21-43(69)58(105(96,97)98)56(40)102-57-41(55)20-22-44(70)59(57)106(99,100)101/h3-5,9-10,13-22,30,34,45-51,69,81H,6-8,11-12,23-29,31-33,70H2,1-2H3,(H2,71,82)(H,72,86)(H,73,87)(H,74,83)(H,75,92)(H,76,90)(H,77,89)(H,78,88)(H,79,91)(H,84,85)(H,94,95)(H,96,97,98)(H,99,100,101)/p-2/t45-,46-,47-,48-,49-,50-,51-/m0/s1 | UniProtKB/SwissProt
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INSERM
Curated by ChEMBL
| Assay Description
Agonist activity at human vasopressin V1b receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol ph... |
J Med Chem 54: 2864-77 (2011)
Article DOI: 10.1021/jm1016208
BindingDB Entry DOI: 10.7270/Q23B60GJ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350865
(CHEMBL1819440)Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50044742
(CHEMBL3354579)Show SMILES [H][C@]1(NC(=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)[C@@H](C)CC |r| Show InChI InChI=1S/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-/m0/s1 | UniProtKB/SwissProt
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Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350868
(CHEMBL1819555)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)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](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H69N13O11S2/c1-3-21(2)33-40(64)49-24(11-12-30(44)55)36(60)51-27(17-31(45)56)37(61)52-28(20-67-66-19-23(43)34(58)50-26(38(62)53-33)16-22-8-5-4-6-9-22)41(65)54-15-7-10-29(54)39(63)48-25(13-14-42)35(59)47-18-32(46)57/h21-29,33H,3-20,42-43H2,1-2H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,59)(H,48,63)(H,49,64)(H,50,58)(H,51,60)(H,52,61)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350857
(CHEMBL1817750)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N13O11S2/c1-4-21(2)33-40(64)51-27(17-32(57)46-3)37(61)50-26(16-30(44)55)36(60)52-28(20-67-66-19-23(43)34(58)49-25(38(62)53-33)15-22-9-6-5-7-10-22)41(65)54-14-8-11-29(54)39(63)48-24(12-13-42)35(59)47-18-31(45)56/h5-7,9-10,21,23-29,33H,4,8,11-20,42-43H2,1-3H3,(H2,44,55)(H2,45,56)(H,46,57)(H,47,59)(H,48,63)(H,49,58)(H,50,61)(H,51,64)(H,52,60)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50044686
(CHEMBL3354594)Show SMILES [H][C@]1(NC(=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)[C@@H](C)CC |r| Show InChI InChI=1S/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-/m0/s1 | UniProtKB/SwissProt
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Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50523557
(CHEMBL4583231)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)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H68N12O13S2/c1-5-23(4)36-42(67)50-27(11-12-32(45)58)39(64)52-30(17-33(46)59)40(65)53-31(21-70-69-20-26(44)37(62)51-29(41(66)54-36)16-24-7-9-25(57)10-8-24)43(68)55(13-6-14-56)19-35(61)49-28(15-22(2)3)38(63)48-18-34(47)60/h7-10,22-23,26-31,36,56-57H,5-6,11-21,44H2,1-4H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,63)(H,49,61)(H,50,67)(H,51,62)(H,52,64)(H,53,65)(H,54,66)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1 | UniProtKB/SwissProt
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Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50044782
(CHEMBL3353933)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)OC)[C@@H](C)CC |r| Show InChI InChI=1S/C46H71N11O13S/c1-7-25(4)39-45(67)52-29(14-15-35(47)58)41(63)53-32(20-36(48)59)42(64)55-33(23-71-16-8-9-38(61)51-31(43(65)56-39)18-26-10-12-27(69-5)13-11-26)46(68)57-22-28(70-6)19-34(57)44(66)54-30(17-24(2)3)40(62)50-21-37(49)60/h10-13,24-25,28-34,39H,7-9,14-23H2,1-6H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)/t25-,28+,29-,30-,31-,32-,33-,34-,39-/m0/s1 | UniProtKB/SwissProt
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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)) | BDBM50044778
(CHEMBL3353937)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C42H65N11O12S/c1-6-23(4)36-42(64)50-26(13-14-31(43)54)39(61)51-29(18-32(44)55)40(62)52-30(38(60)47-20-35(58)49-27(16-22(2)3)37(59)46-19-33(45)56)21-66-15-7-8-34(57)48-28(41(63)53-36)17-24-9-11-25(65-5)12-10-24/h9-12,22-23,26-30,36H,6-8,13-21H2,1-5H3,(H2,43,54)(H2,44,55)(H2,45,56)(H,46,59)(H,47,60)(H,48,57)(H,49,58)(H,50,64)(H,51,61)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,36-/m0/s1 | UniProtKB/SwissProt
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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)) | BDBM50523554
(CHEMBL4467042)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCSC[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 |r| Show InChI InChI=1S/C44H70N12O13S/c1-5-24(4)37-43(68)51-28(11-12-33(46)59)40(65)53-31(19-34(47)60)41(66)54-32(22-70-16-13-27(45)38(63)52-30(42(67)55-37)18-25-7-9-26(58)10-8-25)44(69)56(14-6-15-57)21-36(62)50-29(17-23(2)3)39(64)49-20-35(48)61/h7-10,23-24,27-32,37,57-58H,5-6,11-22,45H2,1-4H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,49,64)(H,50,62)(H,51,68)(H,52,63)(H,53,65)(H,54,66)(H,55,67)/t24-,27-,28-,29-,30-,31-,32-,37-/m0/s1 | UniProtKB/SwissProt
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Tohoku University and Department of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1b receptor expressed in HEK293 cells assessed as increase in intracellular calcium level measured at 3 secs i... |
J Med Chem 62: 3297-3310 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01691
BindingDB Entry DOI: 10.7270/Q2GF0XXQ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50044777
(Arginine Vasopressin | Beta-Hypophamine | CHEBI:34...)Show SMILES N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 | UniProtKB/SwissProt
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TBA
| Assay Description
Antagonism against Tachykinin receptor 2 in rat vas deferens(RVD) |
Citation and Details
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More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50205308
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1 | UniProtKB/SwissProt
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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)) | BDBM50205308
((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-...)Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay |
J Med Chem 62: 4991-5005 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350874
(CHEMBL1819540)Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H63N13O11S2/c46-17-7-13-28(39(63)51-22-37(50)61)53-44(68)34-14-8-18-58(34)45(69)33-24-71-70-23-27(47)38(62)54-30(19-25-9-3-1-4-10-25)42(66)55-31(20-26-11-5-2-6-12-26)41(65)52-29(15-16-35(48)59)40(64)56-32(21-36(49)60)43(67)57-33/h1-6,9-12,27-34H,7-8,13-24,46-47H2,(H2,48,59)(H2,49,60)(H2,50,61)(H,51,63)(H,52,65)(H,53,68)(H,54,62)(H,55,66)(H,56,64)(H,57,67)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350866
(CHEMBL1819441)Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C46H65N15O11S2/c47-27-23-73-74-24-33(45(72)61-18-8-14-34(61)44(71)56-28(13-7-17-53-46(51)52)39(66)54-22-37(50)64)60-43(70)32(21-36(49)63)59-40(67)29(15-16-35(48)62)55-41(68)31(20-26-11-5-2-6-12-26)58-42(69)30(57-38(27)65)19-25-9-3-1-4-10-25/h1-6,9-12,27-34H,7-8,13-24,47H2,(H2,48,62)(H2,49,63)(H2,50,64)(H,54,66)(H,55,68)(H,56,71)(H,57,65)(H,58,69)(H,59,67)(H,60,70)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350905
(CHEMBL1817772)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C40H67N13O11S2/c1-3-20(2)32-39(63)50-26(16-30(44)55)35(59)49-25(15-29(43)54)36(60)51-27(19-66-65-18-22(42)33(57)48-24(37(61)52-32)14-21-8-5-4-6-9-21)40(64)53-13-7-10-28(53)38(62)47-23(11-12-41)34(58)46-17-31(45)56/h20-28,32H,3-19,41-42H2,1-2H3,(H2,43,54)(H2,44,55)(H2,45,56)(H,46,58)(H,47,62)(H,48,57)(H,49,59)(H,50,63)(H,51,60)(H,52,61)/t20-,22-,23-,24-,25-,26-,27-,28-,32-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350845
(CHEMBL1817698)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O12S2/c1-3-24(2)36-43(68)54-30(20-35(61)49-15-9-17-58)40(65)53-29(19-33(47)59)39(64)55-31(23-71-70-22-26(46)37(62)52-28(41(66)56-36)18-25-10-5-4-6-11-25)44(69)57-16-8-13-32(57)42(67)51-27(12-7-14-45)38(63)50-21-34(48)60/h4-6,10-11,24,26-32,36,58H,3,7-9,12-23,45-46H2,1-2H3,(H2,47,59)(H2,48,60)(H,49,61)(H,50,63)(H,51,67)(H,52,62)(H,53,65)(H,54,68)(H,55,64)(H,56,66)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350867
(CHEMBL1819554)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)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](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C40H67N13O11S2/c1-3-20(2)32-39(63)48-23(10-11-29(43)54)35(59)50-26(16-30(44)55)36(60)51-27(19-66-65-18-22(42)33(57)49-25(37(61)52-32)15-21-7-4-5-8-21)40(64)53-14-6-9-28(53)38(62)47-24(12-13-41)34(58)46-17-31(45)56/h20-28,32H,3-19,41-42H2,1-2H3,(H2,43,54)(H2,44,55)(H2,45,56)(H,46,58)(H,47,62)(H,48,63)(H,49,57)(H,50,59)(H,51,60)(H,52,61)/t20-,22-,23-,24-,25-,26-,27-,28-,32-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350858
(CHEMBL1817751)Show SMILES CCNC(=O)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C42H65N13O11S2/c1-4-22(3)34-41(65)52-28(18-33(58)47-5-2)38(62)51-27(17-31(45)56)37(61)53-29(21-68-67-20-24(44)35(59)50-26(39(63)54-34)16-23-10-7-6-8-11-23)42(66)55-15-9-12-30(55)40(64)49-25(13-14-43)36(60)48-19-32(46)57/h6-8,10-11,22,24-30,34H,4-5,9,12-21,43-44H2,1-3H3,(H2,45,56)(H2,46,57)(H,47,58)(H,48,60)(H,49,64)(H,50,59)(H,51,62)(H,52,65)(H,53,61)(H,54,63)/t22-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50205304
(CHEMBL435323 | dVDAVP)Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C46H65N13O11S2/c1-25(2)38-44(69)56-32(22-35(47)61)41(66)57-33(45(70)59-18-7-11-34(59)43(68)54-29(10-6-17-51-46(49)50)39(64)52-23-36(48)62)24-72-71-19-16-37(63)53-30(21-27-12-14-28(60)15-13-27)40(65)55-31(42(67)58-38)20-26-8-4-3-5-9-26/h3-5,8-9,12-15,25,29-34,38,60H,6-7,10-11,16-24H2,1-2H3,(H2,47,61)(H2,48,62)(H,52,64)(H,53,63)(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,67)(H4,49,50,51)/t29-,30+,31+,32+,33+,34+,38+/m1/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay |
J Med Chem 62: 4991-5005 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350876
(CHEMBL1819542)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C42H65N13O11S2/c1-3-22(2)34-41(65)50-26(13-14-31(45)56)37(61)52-28(18-32(46)57)38(62)53-29(21-68-67-20-24(44)35(59)51-27(39(63)54-34)17-23-9-5-4-6-10-23)42(66)55-16-8-12-30(55)40(64)49-25(11-7-15-43)36(60)48-19-33(47)58/h4-6,9-10,22,24-30,34H,3,7-8,11-21,43-44H2,1-2H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,60)(H,49,64)(H,50,65)(H,51,59)(H,52,61)(H,53,62)(H,54,63)/t22-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1 | UniProtKB/SwissProt
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Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350877
(CHEMBL1819543)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N13O11S2/c1-3-21(2)33-40(64)49-24(11-12-30(44)55)36(60)51-27(17-31(45)56)37(61)52-28(20-67-66-19-23(43)34(58)50-26(38(62)53-33)16-22-8-5-4-6-9-22)41(65)54-15-7-10-29(54)39(63)48-25(13-14-42)35(59)47-18-32(46)57/h4-6,8-9,21,23-29,33H,3,7,10-20,42-43H2,1-2H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,59)(H,48,63)(H,49,64)(H,50,58)(H,51,60)(H,52,61)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350844
(CHEMBL1817697)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H67N13O12S2/c1-3-23(2)35-42(67)53-29(19-34(60)48-14-16-57)39(64)52-28(18-32(46)58)38(63)54-30(22-70-69-21-25(45)36(61)51-27(40(65)55-35)17-24-9-5-4-6-10-24)43(68)56-15-8-12-31(56)41(66)50-26(11-7-13-44)37(62)49-20-33(47)59/h4-6,9-10,23,25-31,35,57H,3,7-8,11-22,44-45H2,1-2H3,(H2,46,58)(H2,47,59)(H,48,60)(H,49,62)(H,50,66)(H,51,61)(H,52,64)(H,53,67)(H,54,63)(H,55,65)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350891
(CHEMBL1819560)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H67N13O12S2/c1-4-23(2)35-42(66)50-27(14-15-34(59)55-68-3)38(62)52-29(19-32(46)57)39(63)53-30(22-70-69-21-25(45)36(60)51-28(40(64)54-35)18-24-10-6-5-7-11-24)43(67)56-17-9-13-31(56)41(65)49-26(12-8-16-44)37(61)48-20-33(47)58/h5-7,10-11,23,25-31,35H,4,8-9,12-22,44-45H2,1-3H3,(H2,46,57)(H2,47,58)(H,48,61)(H,49,65)(H,50,66)(H,51,60)(H,52,62)(H,53,63)(H,54,64)(H,55,59)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350847
(CHEMBL1817700)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCC(C)O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O12S2/c1-4-23(2)36-43(68)54-30(18-35(61)49-19-24(3)58)40(65)53-29(17-33(47)59)39(64)55-31(22-71-70-21-26(46)37(62)52-28(41(66)56-36)16-25-10-6-5-7-11-25)44(69)57-15-9-13-32(57)42(67)51-27(12-8-14-45)38(63)50-20-34(48)60/h5-7,10-11,23-24,26-32,36,58H,4,8-9,12-22,45-46H2,1-3H3,(H2,47,59)(H2,48,60)(H,49,61)(H,50,63)(H,51,67)(H,52,62)(H,53,65)(H,54,68)(H,55,64)(H,56,66)/t23-,24?,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50205990
(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 |r| 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 | UniProtKB/SwissProt
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UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Agonist activity at human V1b receptor expressed in HEK293FT cells incubated for 30 mins by beta-arrestin recruitment assay |
J Med Chem 61: 8670-8692 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350839
(CHEMBL1817692)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C41H63N13O11S2/c1-3-21(2)33-40(64)51-27(17-31(45)56)36(60)50-26(16-30(44)55)37(61)52-28(20-67-66-19-23(43)34(58)49-25(38(62)53-33)15-22-9-5-4-6-10-22)41(65)54-14-8-12-29(54)39(63)48-24(11-7-13-42)35(59)47-18-32(46)57/h4-6,9-10,21,23-29,33H,3,7-8,11-20,42-43H2,1-2H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,59)(H,48,63)(H,49,58)(H,50,60)(H,51,64)(H,52,61)(H,53,62)/t21-,23-,24-,25-,26-,27-,28-,29-,33-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350841
(CHEMBL1817694)Show SMILES CCNC(=O)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC |r| Show InChI InChI=1S/C43H67N13O11S2/c1-4-23(3)35-42(66)53-29(19-34(59)48-5-2)39(63)52-28(18-32(46)57)38(62)54-30(22-69-68-21-25(45)36(60)51-27(40(64)55-35)17-24-11-7-6-8-12-24)43(67)56-16-10-14-31(56)41(65)50-26(13-9-15-44)37(61)49-20-33(47)58/h6-8,11-12,23,25-31,35H,4-5,9-10,13-22,44-45H2,1-3H3,(H2,46,57)(H2,47,58)(H,48,59)(H,49,61)(H,50,65)(H,51,60)(H,52,63)(H,53,66)(H,54,62)(H,55,64)/t23-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350862
(CHEMBL1817755)Show SMILES CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O11S2/c1-4-15-49-16-9-13-27(38(62)50-21-35(48)60)51-42(66)32-14-10-17-57(32)44(68)31-23-70-69-22-26(45)37(61)52-28(18-25-11-7-6-8-12-25)41(65)56-36(24(3)5-2)43(67)54-30(20-34(47)59)39(63)53-29(19-33(46)58)40(64)55-31/h6-8,11-12,24,26-32,36,49H,4-5,9-10,13-23,45H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,50,62)(H,51,66)(H,52,61)(H,53,63)(H,54,67)(H,55,64)(H,56,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350853
(CHEMBL1817707)Show SMILES CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=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)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O11S2/c1-4-24(3)36-43(67)52-28(15-16-33(46)58)39(63)54-30(20-34(47)59)40(64)55-31(23-70-69-22-26(45)37(61)53-29(41(65)56-36)19-25-11-7-6-8-12-25)44(68)57-18-10-14-32(57)42(66)51-27(13-9-17-49-5-2)38(62)50-21-35(48)60/h6-8,11-12,24,26-32,36,49H,4-5,9-10,13-23,45H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,50,62)(H,51,66)(H,52,67)(H,53,61)(H,54,63)(H,55,64)(H,56,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50205990
(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 |r| 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 | UniProtKB/SwissProt
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Imperial College
Curated by ChEMBL
| Assay Description
Agonist activity at human vasopressin V1b receptor expressed in CHO cells assessed as increase in intracellular calcium flux measured for 5 mins by F... |
Bioorg Med Chem 26: 3039-3045 (2018)
Article DOI: 10.1016/j.bmc.2018.03.019
BindingDB Entry DOI: 10.7270/Q2RV0R6V |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350856
(CHEMBL1817749)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C40H61N13O11S2/c1-3-20(2)32-39(63)50-26(16-30(44)55)35(59)49-25(15-29(43)54)36(60)51-27(19-66-65-18-22(42)33(57)48-24(37(61)52-32)14-21-8-5-4-6-9-21)40(64)53-13-7-10-28(53)38(62)47-23(11-12-41)34(58)46-17-31(45)56/h4-6,8-9,20,22-28,32H,3,7,10-19,41-42H2,1-2H3,(H2,43,54)(H2,44,55)(H2,45,56)(H,46,58)(H,47,62)(H,48,57)(H,49,59)(H,50,63)(H,51,60)(H,52,61)/t20-,22-,23-,24-,25-,26-,27-,28-,32-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350852
(CHEMBL1817706)Show SMILES CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=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)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-4-17-50-18-9-13-28(39(63)51-22-36(49)61)52-43(67)33-14-10-19-58(33)45(69)32-24-71-70-23-27(46)38(62)54-30(20-26-11-7-6-8-12-26)42(66)57-37(25(3)5-2)44(68)53-29(15-16-34(47)59)40(64)55-31(21-35(48)60)41(65)56-32/h6-8,11-12,25,27-33,37,50H,4-5,9-10,13-24,46H2,1-3H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50205990
(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 |r| 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 | UniProtKB/SwissProt
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CHEMBL
MCE
KEGG
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Agonist activity at human V1b receptor expressed in HEK293FT cells assessed as stimulation of calcium release by Aequorin based assay |
J Med Chem 61: 8670-8692 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00697
BindingDB Entry DOI: 10.7270/Q24J0HRF |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350840
(CHEMBL1817693)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C42H65N13O11S2/c1-4-22(2)34-41(65)52-28(18-33(58)47-3)38(62)51-27(17-31(45)56)37(61)53-29(21-68-67-20-24(44)35(59)50-26(39(63)54-34)16-23-10-6-5-7-11-23)42(66)55-15-9-13-30(55)40(64)49-25(12-8-14-43)36(60)48-19-32(46)57/h5-7,10-11,22,24-30,34H,4,8-9,12-21,43-44H2,1-3H3,(H2,45,56)(H2,46,57)(H,47,58)(H,48,60)(H,49,64)(H,50,59)(H,51,62)(H,52,65)(H,53,61)(H,54,63)/t22-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50525085
(CHEMBL4536454)Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r| Show InChI InChI=1S/C44H63ClN12O9S3/c1-4-49-37(60)28(8-5-15-50-44(47)48)52-41(64)33-22-68-23-57(33)43(66)29-13-17-67-18-14-35(59)51-30(19-25-9-11-26(45)12-10-25)38(61)54-31(20-27-7-6-16-69-27)40(63)56-36(24(2)3)42(65)55-32(21-34(46)58)39(62)53-29/h6-7,9-12,16,24,28-33,36H,4-5,8,13-15,17-23H2,1-3H3,(H2,46,58)(H,49,60)(H,51,59)(H,52,64)(H,53,62)(H,54,61)(H,55,65)(H,56,63)(H4,47,48,50)/t28-,29+,30+,31+,32+,33+,36+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay |
J Med Chem 62: 4991-5005 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350848
(CHEMBL1817701)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O13S2/c1-3-25(2)37-44(69)55-31(21-36(62)50-14-17-71-18-16-59)41(66)54-30(20-34(48)60)40(65)56-32(24-73-72-23-27(47)38(63)53-29(42(67)57-37)19-26-9-5-4-6-10-26)45(70)58-15-8-12-33(58)43(68)52-28(11-7-13-46)39(64)51-22-35(49)61/h4-6,9-10,25,27-33,37,59H,3,7-8,11-24,46-47H2,1-2H3,(H2,48,60)(H2,49,61)(H,50,62)(H,51,64)(H,52,68)(H,53,63)(H,54,66)(H,55,69)(H,56,65)(H,57,67)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350885
(CHEMBL1819552)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)(C)C)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](CCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C39H67N13O11S2/c1-6-19(2)30-37(62)47-21(9-10-27(42)53)33(58)48-23(14-28(43)54)34(59)50-25(18-65-64-17-20(41)31(56)49-24(35(60)51-30)15-39(3,4)5)38(63)52-13-7-8-26(52)36(61)46-22(11-12-40)32(57)45-16-29(44)55/h19-26,30H,6-18,40-41H2,1-5H3,(H2,42,53)(H2,43,54)(H2,44,55)(H,45,57)(H,46,61)(H,47,62)(H,48,58)(H,49,56)(H,50,59)(H,51,60)/t19-,20-,21-,22-,23-,24-,25-,26-,30-/m0/s1 | UniProtKB/SwissProt
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Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50350869
(CHEMBL1817704)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)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](CCCNC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O11S2/c1-5-25(4)37-44(68)53-29(15-16-34(47)59)40(64)55-31(20-35(48)60)41(65)56-32(23-71-70-22-27(46)38(62)54-30(42(66)57-37)19-26-11-7-6-8-12-26)45(69)58-18-10-14-33(58)43(67)52-28(13-9-17-50-24(2)3)39(63)51-21-36(49)61/h6-8,11-12,24-25,27-33,37,50H,5,9-10,13-23,46H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,67)(H,53,68)(H,54,62)(H,55,64)(H,56,65)(H,57,66)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM301694
(US10131692, Compound 26)Show SMILES CC(C)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;N$| Show InChI InChI=1S/C49H69ClN12O9S/c1-28(2)27-55-42(65)33(12-8-20-54-49(52)53)57-46(69)38-13-9-21-62(38)48(71)34-18-22-72-23-19-40(64)56-35(25-31-14-16-32(50)17-15-31)43(66)59-36(24-30-10-6-5-7-11-30)45(68)61-41(29(3)4)47(70)60-37(26-39(51)63)44(67)58-34/h5-7,10-11,14-17,28-29,33-38,41H,8-9,12-13,18-27H2,1-4H3,(H2,51,63)(H,55,65)(H,57,69)(H,59,66)(H,60,70)(H,61,68)(H4,52,53,54)/t33-,34+,35+,36+,37+,38+,41+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay |
J Med Chem 62: 4991-5005 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00132
BindingDB Entry DOI: 10.7270/Q2PG1W51 |
More data for this
Ligand-Target Pair | |
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