Found 43 hits of Enzyme Inhibition Constant Data 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)) | 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
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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)) | BDBM50342032
(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)CCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 | UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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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PC cid
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PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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)) | 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
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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)) | BDBM50342031
(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)CCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
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PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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)) | BDBM50342034
(2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[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/C47H66N10O13S2/c1-26(2)19-31-41(64)54-34(22-38(49)60)44(67)56-35(47(70)57-18-8-12-36(57)45(68)51-30(11-6-7-17-48)40(63)50-23-39(61)62)24-71-72-25-37(59)46(69)55-33(21-28-13-15-29(58)16-14-28)43(66)53-32(42(65)52-31)20-27-9-4-3-5-10-27/h3-5,9-10,13-16,26,30-37,58-59H,6-8,11-12,17-25,48H2,1-2H3,(H2,49,60)(H,50,63)(H,51,68)(H,52,65)(H,53,66)(H,54,64)(H,55,69)(H,56,67)(H,61,62)/t30-,31-,32-,33-,34-,35-,36-,37?/m0/s1 | UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM35667
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)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]-c2ccc(-[#8])cc2)-[#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/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 | PDB
Reactome pathway
KEGG
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CHEMBL
MMDB
PC cid
PC sid
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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)) | BDBM50342033
(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)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1 | UniProtKB/SwissProt
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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)) | BDBM50342036
(2-((2S)-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O14S2/c1-36(2)29-41-52(77)66-44(32-48(60)72)55(80)68-45(34-84-85-35-47(71)57(82)67-43(31-38-22-24-39(70)25-23-38)54(79)65-42(53(78)64-41)30-37-17-10-9-11-18-37)58(83)69-28-16-20-46(69)56(81)63-40(51(76)62-33-50(74)75)19-13-15-27-61-49(73)21-12-7-5-3-4-6-8-14-26-59/h9-11,17-18,22-25,36,40-47,70-71H,3-8,12-16,19-21,26-35,59H2,1-2H3,(H2,60,72)(H,61,73)(H,62,76)(H,63,81)(H,64,78)(H,65,79)(H,66,77)(H,67,82)(H,68,80)(H,74,75)/t40-,41-,42-,43-,44-,45-,46-,47?/m0/s1 | UniProtKB/SwissProt
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PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50342031
(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)CCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50342032
(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)CCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 V1a 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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)) | BDBM50342035
(CHEMBL1765670 | triethylamine hemi(2-((2S)-2-((2S)...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[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:19.20,4.3,55.59,wD:8.8,41.43,59.62,37.51,(14.23,7.82,;14.23,6.28,;15.57,5.51,;12.88,5.51,;12.88,3.97,;11.55,3.19,;10.21,3.97,;10.21,5.51,;8.88,3.19,;8.88,1.65,;10.21,.87,;11.55,1.65,;12.88,.87,;12.88,-.67,;11.55,-1.45,;10.21,-.67,;7.53,3.97,;6.2,3.19,;6.2,1.65,;4.86,3.97,;4.86,5.51,;6.2,6.28,;7.53,5.51,;8.88,6.28,;8.88,7.82,;10.21,8.62,;7.53,8.62,;6.2,7.82,;3.52,3.19,;2.19,2.42,;.86,3.19,;2.19,.88,;3.66,.42,;.86,-1.06,;12.23,-4.85,;22.09,-.55,;20.94,.9,;20.91,2.44,;19.57,3.19,;18.24,3.97,;18.24,5.51,;16.9,3.19,;16.82,1.65,;18.12,.81,;19.49,1.51,;18.04,-.73,;15.57,3.97,;14.23,3.19,;14.23,1.65,;22.24,3.23,;22.22,4.76,;23.59,2.47,;24.05,4.06,;25.71,4.12,;26.27,2.57,;24.92,1.83,;24.97,.32,;23.63,-.41,;26.27,-.48,;26.23,-2.01,;24.89,-2.73,;24.85,-4.26,;23.51,-4.98,;23.47,-6.51,;22.13,-7.24,;20.77,-6.51,;20.73,-4.97,;19.46,-7.32,;19.5,-8.86,;18.19,-9.66,;16.83,-8.92,;16.79,-7.39,;18.1,-6.59,;15.98,-6.09,;16.72,-4.73,;14.44,-6.13,;15.52,-9.73,;15.56,-11.27,;16.92,-11.99,;16.96,-13.53,;15.64,-14.34,;15.68,-15.88,;14.29,-13.61,;14.24,-12.07,;12.88,-11.34,;12.85,-9.79,;11.5,-9.07,;11.45,-7.53,;10.1,-6.8,;12.77,-6.72,;14.12,-7.46,;14.16,-8.99,;10.19,-9.88,;8.83,-9.15,;9.46,-11.23,;11,-11.19,;12.98,-14.42,;11.62,-13.69,;12.25,-15.78,;13.79,-15.73,;27.53,-2.8,;28.87,-2.08,;27.49,-4.33,;28.79,-5.13,;28.75,-6.65,;30.05,-7.45,;27.41,-7.38,)| Show InChI InChI=1S/C68H78N12O23S4/c1-33(2)25-45-61(88)77-48(29-52(71)83)64(91)79-49(31-104-105-32-51(82)66(93)78-47(27-35-13-16-37(81)17-14-35)63(90)76-46(62(89)75-45)26-34-9-4-3-5-10-34)67(94)80-24-8-12-50(80)65(92)74-44(60(87)73-30-53(84)85)11-6-7-23-72-59(86)36-15-18-38(41(28-36)68(95)96)54-39-19-21-42(69)57(106(97,98)99)55(39)103-56-40(54)20-22-43(70)58(56)107(100,101)102/h3-5,9-10,13-22,28,33,44-51,69,81-82H,6-8,11-12,23-27,29-32,70H2,1-2H3,(H2,71,83)(H,72,86)(H,73,87)(H,74,92)(H,75,89)(H,76,90)(H,77,88)(H,78,93)(H,79,91)(H,84,85)(H,95,96)(H,97,98,99)(H,100,101,102)/p-2/t44-,45-,46-,47-,48-,49-,50-,51?/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50342034
(2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[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/C47H66N10O13S2/c1-26(2)19-31-41(64)54-34(22-38(49)60)44(67)56-35(47(70)57-18-8-12-36(57)45(68)51-30(11-6-7-17-48)40(63)50-23-39(61)62)24-71-72-25-37(59)46(69)55-33(21-28-13-15-29(58)16-14-28)43(66)53-32(42(65)52-31)20-27-9-4-3-5-10-27/h3-5,9-10,13-16,26,30-37,58-59H,6-8,11-12,17-25,48H2,1-2H3,(H2,49,60)(H,50,63)(H,51,68)(H,52,65)(H,53,66)(H,54,64)(H,55,69)(H,56,67)(H,61,62)/t30-,31-,32-,33-,34-,35-,36-,37?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 179 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50342033
(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)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
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| CHEMBL
PC cid
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PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 V1a receptor
(Homo sapiens (Human)) | BDBM50342031
(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)CCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| 215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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 V1a 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 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
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PubMed
| 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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 V1a 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 258 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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 V1a receptor
(Homo sapiens (Human)) | BDBM50342032
(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)CCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 266 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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 V1a receptor
(Homo sapiens (Human)) | BDBM50342033
(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)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 384 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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 V1a receptor
(Homo sapiens (Human)) | BDBM50342034
(2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[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/C47H66N10O13S2/c1-26(2)19-31-41(64)54-34(22-38(49)60)44(67)56-35(47(70)57-18-8-12-36(57)45(68)51-30(11-6-7-17-48)40(63)50-23-39(61)62)24-71-72-25-37(59)46(69)55-33(21-28-13-15-29(58)16-14-28)43(66)53-32(42(65)52-31)20-27-9-4-3-5-10-27/h3-5,9-10,13-16,26,30-37,58-59H,6-8,11-12,17-25,48H2,1-2H3,(H2,49,60)(H,50,63)(H,51,68)(H,52,65)(H,53,66)(H,54,64)(H,55,69)(H,56,67)(H,61,62)/t30-,31-,32-,33-,34-,35-,36-,37?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| 879 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50342035
(CHEMBL1765670 | triethylamine hemi(2-((2S)-2-((2S)...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[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:19.20,4.3,55.59,wD:8.8,41.43,59.62,37.51,(14.23,7.82,;14.23,6.28,;15.57,5.51,;12.88,5.51,;12.88,3.97,;11.55,3.19,;10.21,3.97,;10.21,5.51,;8.88,3.19,;8.88,1.65,;10.21,.87,;11.55,1.65,;12.88,.87,;12.88,-.67,;11.55,-1.45,;10.21,-.67,;7.53,3.97,;6.2,3.19,;6.2,1.65,;4.86,3.97,;4.86,5.51,;6.2,6.28,;7.53,5.51,;8.88,6.28,;8.88,7.82,;10.21,8.62,;7.53,8.62,;6.2,7.82,;3.52,3.19,;2.19,2.42,;.86,3.19,;2.19,.88,;3.66,.42,;.86,-1.06,;12.23,-4.85,;22.09,-.55,;20.94,.9,;20.91,2.44,;19.57,3.19,;18.24,3.97,;18.24,5.51,;16.9,3.19,;16.82,1.65,;18.12,.81,;19.49,1.51,;18.04,-.73,;15.57,3.97,;14.23,3.19,;14.23,1.65,;22.24,3.23,;22.22,4.76,;23.59,2.47,;24.05,4.06,;25.71,4.12,;26.27,2.57,;24.92,1.83,;24.97,.32,;23.63,-.41,;26.27,-.48,;26.23,-2.01,;24.89,-2.73,;24.85,-4.26,;23.51,-4.98,;23.47,-6.51,;22.13,-7.24,;20.77,-6.51,;20.73,-4.97,;19.46,-7.32,;19.5,-8.86,;18.19,-9.66,;16.83,-8.92,;16.79,-7.39,;18.1,-6.59,;15.98,-6.09,;16.72,-4.73,;14.44,-6.13,;15.52,-9.73,;15.56,-11.27,;16.92,-11.99,;16.96,-13.53,;15.64,-14.34,;15.68,-15.88,;14.29,-13.61,;14.24,-12.07,;12.88,-11.34,;12.85,-9.79,;11.5,-9.07,;11.45,-7.53,;10.1,-6.8,;12.77,-6.72,;14.12,-7.46,;14.16,-8.99,;10.19,-9.88,;8.83,-9.15,;9.46,-11.23,;11,-11.19,;12.98,-14.42,;11.62,-13.69,;12.25,-15.78,;13.79,-15.73,;27.53,-2.8,;28.87,-2.08,;27.49,-4.33,;28.79,-5.13,;28.75,-6.65,;30.05,-7.45,;27.41,-7.38,)| Show InChI InChI=1S/C68H78N12O23S4/c1-33(2)25-45-61(88)77-48(29-52(71)83)64(91)79-49(31-104-105-32-51(82)66(93)78-47(27-35-13-16-37(81)17-14-35)63(90)76-46(62(89)75-45)26-34-9-4-3-5-10-34)67(94)80-24-8-12-50(80)65(92)74-44(60(87)73-30-53(84)85)11-6-7-23-72-59(86)36-15-18-38(41(28-36)68(95)96)54-39-19-21-42(69)57(106(97,98)99)55(39)103-56-40(54)20-22-43(70)58(56)107(100,101)102/h3-5,9-10,13-22,28,33,44-51,69,81-82H,6-8,11-12,23-27,29-32,70H2,1-2H3,(H2,71,83)(H,72,86)(H,73,87)(H,74,92)(H,75,89)(H,76,90)(H,77,88)(H,78,93)(H,79,91)(H,84,85)(H,95,96)(H,97,98,99)(H,100,101,102)/p-2/t44-,45-,46-,47-,48-,49-,50-,51?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 963 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 V2 receptor
(Homo sapiens (Human)) | BDBM50342034
(2-((2S)-6-amino-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[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/C47H66N10O13S2/c1-26(2)19-31-41(64)54-34(22-38(49)60)44(67)56-35(47(70)57-18-8-12-36(57)45(68)51-30(11-6-7-17-48)40(63)50-23-39(61)62)24-71-72-25-37(59)46(69)55-33(21-28-13-15-29(58)16-14-28)43(66)53-32(42(65)52-31)20-27-9-4-3-5-10-27/h3-5,9-10,13-16,26,30-37,58-59H,6-8,11-12,17-25,48H2,1-2H3,(H2,49,60)(H,50,63)(H,51,68)(H,52,65)(H,53,66)(H,54,64)(H,55,69)(H,56,67)(H,61,62)/t30-,31-,32-,33-,34-,35-,36-,37?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| Article
PubMed
| 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 V1a receptor
(Homo sapiens (Human)) | BDBM50342036
(2-((2S)-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O14S2/c1-36(2)29-41-52(77)66-44(32-48(60)72)55(80)68-45(34-84-85-35-47(71)57(82)67-43(31-38-22-24-39(70)25-23-38)54(79)65-42(53(78)64-41)30-37-17-10-9-11-18-37)58(83)69-28-16-20-46(69)56(81)63-40(51(76)62-33-50(74)75)19-13-15-27-61-49(73)21-12-7-5-3-4-6-8-14-26-59/h9-11,17-18,22-25,36,40-47,70-71H,3-8,12-16,19-21,26-35,59H2,1-2H3,(H2,60,72)(H,61,73)(H,62,76)(H,63,81)(H,64,78)(H,65,79)(H,66,77)(H,67,82)(H,68,80)(H,74,75)/t40-,41-,42-,43-,44-,45-,46-,47?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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PubMed
| 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50342036
(2-((2S)-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O14S2/c1-36(2)29-41-52(77)66-44(32-48(60)72)55(80)68-45(34-84-85-35-47(71)57(82)67-43(31-38-22-24-39(70)25-23-38)54(79)65-42(53(78)64-41)30-37-17-10-9-11-18-37)58(83)69-28-16-20-46(69)56(81)63-40(51(76)62-33-50(74)75)19-13-15-27-61-49(73)21-12-7-5-3-4-6-8-14-26-59/h9-11,17-18,22-25,36,40-47,70-71H,3-8,12-16,19-21,26-35,59H2,1-2H3,(H2,60,72)(H,61,73)(H,62,76)(H,63,81)(H,64,78)(H,65,79)(H,66,77)(H,67,82)(H,68,80)(H,74,75)/t40-,41-,42-,43-,44-,45-,46-,47?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
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UniChem
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PubMed
| 3.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins |
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 V2 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 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 V2 receptor
(Homo sapiens (Human)) | BDBM50342031
(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)CCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C50H71N11O13S2/c1-29(2)23-34-45(69)59-37(26-40(52)63)48(72)60-38(50(74)61-21-8-12-39(61)49(73)56-33(44(68)54-27-43(66)67)11-6-7-20-53-41(64)17-19-51)28-76-75-22-18-42(65)55-35(25-31-13-15-32(62)16-14-31)46(70)58-36(47(71)57-34)24-30-9-4-3-5-10-30/h3-5,9-10,13-16,29,33-39,62H,6-8,11-12,17-28,51H2,1-2H3,(H2,52,63)(H,53,64)(H,54,68)(H,55,65)(H,56,73)(H,57,71)(H,58,70)(H,59,69)(H,60,72)(H,66,67)/t33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 V2 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 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
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| Article
PubMed
| 6.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 V2 receptor
(Homo sapiens (Human)) | BDBM50342032
(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)CCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C54H79N11O13S2/c1-33(2)27-38-49(73)63-41(30-44(56)67)52(76)64-42(54(78)65-25-12-16-43(65)53(77)60-37(48(72)58-31-47(70)71)15-9-11-24-57-45(68)17-8-3-4-10-23-55)32-80-79-26-22-46(69)59-39(29-35-18-20-36(66)21-19-35)50(74)62-40(51(75)61-38)28-34-13-6-5-7-14-34/h5-7,13-14,18-21,33,37-43,66H,3-4,8-12,15-17,22-32,55H2,1-2H3,(H2,56,67)(H,57,68)(H,58,72)(H,59,69)(H,60,77)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,70,71)/t37-,38-,39-,40-,41-,42-,43-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 V2 receptor
(Homo sapiens (Human)) | BDBM50342033
(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)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
Similars
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PubMed
| 3.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 V2 receptor
(Homo sapiens (Human)) | BDBM50342036
(2-((2S)-2-((2S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O14S2/c1-36(2)29-41-52(77)66-44(32-48(60)72)55(80)68-45(34-84-85-35-47(71)57(82)67-43(31-38-22-24-39(70)25-23-38)54(79)65-42(53(78)64-41)30-37-17-10-9-11-18-37)58(83)69-28-16-20-46(69)56(81)63-40(51(76)62-33-50(74)75)19-13-15-27-61-49(73)21-12-7-5-3-4-6-8-14-26-59/h9-11,17-18,22-25,36,40-47,70-71H,3-8,12-16,19-21,26-35,59H2,1-2H3,(H2,60,72)(H,61,73)(H,62,76)(H,63,81)(H,64,78)(H,65,79)(H,66,77)(H,67,82)(H,68,80)(H,74,75)/t40-,41-,42-,43-,44-,45-,46-,47?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 V1a receptor
(Homo sapiens (Human)) | BDBM50342035
(CHEMBL1765670 | triethylamine hemi(2-((2S)-2-((2S)...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[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:19.20,4.3,55.59,wD:8.8,41.43,59.62,37.51,(14.23,7.82,;14.23,6.28,;15.57,5.51,;12.88,5.51,;12.88,3.97,;11.55,3.19,;10.21,3.97,;10.21,5.51,;8.88,3.19,;8.88,1.65,;10.21,.87,;11.55,1.65,;12.88,.87,;12.88,-.67,;11.55,-1.45,;10.21,-.67,;7.53,3.97,;6.2,3.19,;6.2,1.65,;4.86,3.97,;4.86,5.51,;6.2,6.28,;7.53,5.51,;8.88,6.28,;8.88,7.82,;10.21,8.62,;7.53,8.62,;6.2,7.82,;3.52,3.19,;2.19,2.42,;.86,3.19,;2.19,.88,;3.66,.42,;.86,-1.06,;12.23,-4.85,;22.09,-.55,;20.94,.9,;20.91,2.44,;19.57,3.19,;18.24,3.97,;18.24,5.51,;16.9,3.19,;16.82,1.65,;18.12,.81,;19.49,1.51,;18.04,-.73,;15.57,3.97,;14.23,3.19,;14.23,1.65,;22.24,3.23,;22.22,4.76,;23.59,2.47,;24.05,4.06,;25.71,4.12,;26.27,2.57,;24.92,1.83,;24.97,.32,;23.63,-.41,;26.27,-.48,;26.23,-2.01,;24.89,-2.73,;24.85,-4.26,;23.51,-4.98,;23.47,-6.51,;22.13,-7.24,;20.77,-6.51,;20.73,-4.97,;19.46,-7.32,;19.5,-8.86,;18.19,-9.66,;16.83,-8.92,;16.79,-7.39,;18.1,-6.59,;15.98,-6.09,;16.72,-4.73,;14.44,-6.13,;15.52,-9.73,;15.56,-11.27,;16.92,-11.99,;16.96,-13.53,;15.64,-14.34,;15.68,-15.88,;14.29,-13.61,;14.24,-12.07,;12.88,-11.34,;12.85,-9.79,;11.5,-9.07,;11.45,-7.53,;10.1,-6.8,;12.77,-6.72,;14.12,-7.46,;14.16,-8.99,;10.19,-9.88,;8.83,-9.15,;9.46,-11.23,;11,-11.19,;12.98,-14.42,;11.62,-13.69,;12.25,-15.78,;13.79,-15.73,;27.53,-2.8,;28.87,-2.08,;27.49,-4.33,;28.79,-5.13,;28.75,-6.65,;30.05,-7.45,;27.41,-7.38,)| Show InChI InChI=1S/C68H78N12O23S4/c1-33(2)25-45-61(88)77-48(29-52(71)83)64(91)79-49(31-104-105-32-51(82)66(93)78-47(27-35-13-16-37(81)17-14-35)63(90)76-46(62(89)75-45)26-34-9-4-3-5-10-34)67(94)80-24-8-12-50(80)65(92)74-44(60(87)73-30-53(84)85)11-6-7-23-72-59(86)36-15-18-38(41(28-36)68(95)96)54-39-19-21-42(69)57(106(97,98)99)55(39)103-56-40(54)20-22-43(70)58(56)107(100,101)102/h3-5,9-10,13-22,28,33,44-51,69,81-82H,6-8,11-12,23-27,29-32,70H2,1-2H3,(H2,71,83)(H,72,86)(H,73,87)(H,74,92)(H,75,89)(H,76,90)(H,77,88)(H,78,93)(H,79,91)(H,84,85)(H,95,96)(H,97,98,99)(H,100,101,102)/p-2/t44-,45-,46-,47-,48-,49-,50-,51?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins |
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 V2 receptor
(Homo sapiens (Human)) | BDBM50342035
(CHEMBL1765670 | triethylamine hemi(2-((2S)-2-((2S)...)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[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:19.20,4.3,55.59,wD:8.8,41.43,59.62,37.51,(14.23,7.82,;14.23,6.28,;15.57,5.51,;12.88,5.51,;12.88,3.97,;11.55,3.19,;10.21,3.97,;10.21,5.51,;8.88,3.19,;8.88,1.65,;10.21,.87,;11.55,1.65,;12.88,.87,;12.88,-.67,;11.55,-1.45,;10.21,-.67,;7.53,3.97,;6.2,3.19,;6.2,1.65,;4.86,3.97,;4.86,5.51,;6.2,6.28,;7.53,5.51,;8.88,6.28,;8.88,7.82,;10.21,8.62,;7.53,8.62,;6.2,7.82,;3.52,3.19,;2.19,2.42,;.86,3.19,;2.19,.88,;3.66,.42,;.86,-1.06,;12.23,-4.85,;22.09,-.55,;20.94,.9,;20.91,2.44,;19.57,3.19,;18.24,3.97,;18.24,5.51,;16.9,3.19,;16.82,1.65,;18.12,.81,;19.49,1.51,;18.04,-.73,;15.57,3.97,;14.23,3.19,;14.23,1.65,;22.24,3.23,;22.22,4.76,;23.59,2.47,;24.05,4.06,;25.71,4.12,;26.27,2.57,;24.92,1.83,;24.97,.32,;23.63,-.41,;26.27,-.48,;26.23,-2.01,;24.89,-2.73,;24.85,-4.26,;23.51,-4.98,;23.47,-6.51,;22.13,-7.24,;20.77,-6.51,;20.73,-4.97,;19.46,-7.32,;19.5,-8.86,;18.19,-9.66,;16.83,-8.92,;16.79,-7.39,;18.1,-6.59,;15.98,-6.09,;16.72,-4.73,;14.44,-6.13,;15.52,-9.73,;15.56,-11.27,;16.92,-11.99,;16.96,-13.53,;15.64,-14.34,;15.68,-15.88,;14.29,-13.61,;14.24,-12.07,;12.88,-11.34,;12.85,-9.79,;11.5,-9.07,;11.45,-7.53,;10.1,-6.8,;12.77,-6.72,;14.12,-7.46,;14.16,-8.99,;10.19,-9.88,;8.83,-9.15,;9.46,-11.23,;11,-11.19,;12.98,-14.42,;11.62,-13.69,;12.25,-15.78,;13.79,-15.73,;27.53,-2.8,;28.87,-2.08,;27.49,-4.33,;28.79,-5.13,;28.75,-6.65,;30.05,-7.45,;27.41,-7.38,)| Show InChI InChI=1S/C68H78N12O23S4/c1-33(2)25-45-61(88)77-48(29-52(71)83)64(91)79-49(31-104-105-32-51(82)66(93)78-47(27-35-13-16-37(81)17-14-35)63(90)76-46(62(89)75-45)26-34-9-4-3-5-10-34)67(94)80-24-8-12-50(80)65(92)74-44(60(87)73-30-53(84)85)11-6-7-23-72-59(86)36-15-18-38(41(28-36)68(95)96)54-39-19-21-42(69)57(106(97,98)99)55(39)103-56-40(54)20-22-43(70)58(56)107(100,101)102/h3-5,9-10,13-22,28,33,44-51,69,81-82H,6-8,11-12,23-27,29-32,70H2,1-2H3,(H2,71,83)(H,72,86)(H,73,87)(H,74,92)(H,75,89)(H,76,90)(H,77,88)(H,78,93)(H,79,91)(H,84,85)(H,95,96)(H,97,98,99)(H,100,101,102)/p-2/t44-,45-,46-,47-,48-,49-,50-,51?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 V2 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins |
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 | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM35667
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)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]-c2ccc(-[#8])cc2)-[#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/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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate... |
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)) | 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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.93 | 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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)) | 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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
Oxytocin 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10.8 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Agonist activity at human oxytocin receptor expressed CHO cells assessed as induction of phospholipase C activity after 15 mins by inositol phosphate... |
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)) | 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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
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