Found 26 hits with Last Name = 'arnaudguilhem' and Initial = 'c' 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 V1a receptor
(Homo sapiens (Human)) | BDBM50469544
(CHEMBL4281963)Show SMILES COc1ccc(C[C@@H](NC(=O)CCc2ccc(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)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1 |r| Show InChI InChI=1S/C54H76N16O12/c1-82-35-20-15-33(16-21-35)29-39(64-45(74)24-17-31-13-18-34(71)19-14-31)48(77)68-40(28-32-8-3-2-4-9-32)49(78)66-37(22-23-43(55)72)47(76)69-41(30-44(56)73)50(79)67-38(11-6-26-63-54(60)61)52(81)70-27-7-12-42(70)51(80)65-36(46(57)75)10-5-25-62-53(58)59/h2-4,8-9,13-16,18-21,36-42,71H,5-7,10-12,17,22-30H2,1H3,(H2,55,72)(H2,56,73)(H2,57,75)(H,64,74)(H,65,80)(H,66,78)(H,67,79)(H,68,77)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39+,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469541
(CHEMBL4289837)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-2-[#6][Se;v2][#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)cc1 |r| Show InChI InChI=1S/C53H74N16O12Se/c1-81-34-18-13-32(14-19-34)26-38(63-44(73)22-15-30-11-16-33(70)17-12-30)47(76)67-39(25-31-7-3-2-4-8-31)48(77)65-36(20-21-42(54)71)46(75)68-40(27-43(55)72)49(78)66-37(10-6-24-62-53(59)60)51(80)69-29-82-28-41(69)50(79)64-35(45(56)74)9-5-23-61-52(57)58/h2-4,7-8,11-14,16-19,35-41,70H,5-6,9-10,15,20-29H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,73)(H,64,79)(H,65,77)(H,66,78)(H,67,76)(H,68,75)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50114031
((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r| Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1 | PDB
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469540
(CHEMBL4294901)Show SMILES [#7]-[#6@H]-1-[#6][Se;v2][Se;v2][#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 |r| Show InChI InChI=1S/C46H65N15O12Se2/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469544
(CHEMBL4281963)Show SMILES COc1ccc(C[C@@H](NC(=O)CCc2ccc(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)N[C@@H](CCCNC(N)=N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)cc1 |r| Show InChI InChI=1S/C54H76N16O12/c1-82-35-20-15-33(16-21-35)29-39(64-45(74)24-17-31-13-18-34(71)19-14-31)48(77)68-40(28-32-8-3-2-4-9-32)49(78)66-37(22-23-43(55)72)47(76)69-41(30-44(56)73)50(79)67-38(11-6-26-63-54(60)61)52(81)70-27-7-12-42(70)51(80)65-36(46(57)75)10-5-25-62-53(58)59/h2-4,8-9,13-16,18-21,36-42,71H,5-7,10-12,17,22-30H2,1H3,(H2,55,72)(H2,56,73)(H2,57,75)(H,64,74)(H,65,80)(H,66,78)(H,67,79)(H,68,77)(H,69,76)(H4,58,59,62)(H4,60,61,63)/t36-,37-,38-,39+,40-,41-,42-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469541
(CHEMBL4289837)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-2-[#6][Se;v2][#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)cc1 |r| Show InChI InChI=1S/C53H74N16O12Se/c1-81-34-18-13-32(14-19-34)26-38(63-44(73)22-15-30-11-16-33(70)17-12-30)47(76)67-39(25-31-7-3-2-4-8-31)48(77)65-36(20-21-42(54)71)46(75)68-40(27-43(55)72)49(78)66-37(10-6-24-62-53(59)60)51(80)69-29-82-28-41(69)50(79)64-35(45(56)74)9-5-23-61-52(57)58/h2-4,7-8,11-14,16-19,35-41,70H,5-6,9-10,15,20-29H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,73)(H,64,79)(H,65,77)(H,66,78)(H,67,76)(H,68,75)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50114031
((2S)-1-[(2R,3S)-5-chloro-3-(2-chlorophenyl)-1-(3,4...)Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1[C@@H](C(=O)N2CCC[C@H]2C(N)=O)[C@](O)(c2cc(Cl)ccc12)c1ccccc1Cl |r| Show InChI InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469542
(CHEMBL4278500)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6][Se;v2]c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)cc1 |r| Show InChI InChI=1S/C53H74N16O12Se/c1-81-33-17-13-31(14-18-33)27-38(63-44(73)29-82-34-19-15-32(70)16-20-34)47(76)67-39(26-30-8-3-2-4-9-30)48(77)65-36(21-22-42(54)71)46(75)68-40(28-43(55)72)49(78)66-37(11-6-24-62-53(59)60)51(80)69-25-7-12-41(69)50(79)64-35(45(56)74)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70H,5-7,10-12,21-29H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,73)(H,64,79)(H,65,77)(H,66,78)(H,67,76)(H,68,75)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469540
(CHEMBL4294901)Show SMILES [#7]-[#6@H]-1-[#6][Se;v2][Se;v2][#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 |r| Show InChI InChI=1S/C46H65N15O12Se2/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469539
(CHEMBL562961)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 |r| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-LVA from human V1A receptor expressed in African green monkey COS7 cell membranes after 60 mins |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469539
(CHEMBL562961)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 |r| 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
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antibodypedia
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| Purchase
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469541
(CHEMBL4289837)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-2-[#6][Se;v2][#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)cc1 |r| Show InChI InChI=1S/C53H74N16O12Se/c1-81-34-18-13-32(14-19-34)26-38(63-44(73)22-15-30-11-16-33(70)17-12-30)47(76)67-39(25-31-7-3-2-4-8-31)48(77)65-36(20-21-42(54)71)46(75)68-40(27-43(55)72)49(78)66-37(10-6-24-62-53(59)60)51(80)69-29-82-28-41(69)50(79)64-35(45(56)74)9-5-23-61-52(57)58/h2-4,7-8,11-14,16-19,35-41,70H,5-6,9-10,15,20-29H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,73)(H,64,79)(H,65,77)(H,66,78)(H,67,76)(H,68,75)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [Sez6]-HO-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50469546
(CHEMBL4286411)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC[Se]C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C48H70N12O10SSe/c1-29(61)55-36(20-24-72-3)45(68)57-34(17-12-22-53-48(50)51)43(66)52-21-11-5-8-18-40(62)56-38(26-31-28-54-33-16-10-9-15-32(31)33)46(69)58-35(19-23-71-2)44(67)60-39(27-41(63)64)47(70)59-37(42(49)65)25-30-13-6-4-7-14-30/h4,6-7,9-10,13-16,28,34-39,54H,5,8,11-12,17-27H2,1-3H3,(H2,49,65)(H,52,66)(H,55,61)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,63,64)(H4,50,51,53)/t34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of non-sulfated CCK-8 from CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50469547
(CHEMBL4278080)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C49H65N11O9SSe/c1-70-25-22-37(46(67)60-40(28-43(63)64)48(69)59-38(44(50)65)26-31-14-5-2-6-15-31)58-47(68)39(27-32-29-55-35-19-11-10-18-34(32)35)57-41(61)21-9-4-12-23-53-45(66)36(20-13-24-54-49(51)52)56-42(62)30-71-33-16-7-3-8-17-33/h2-3,5-8,10-11,14-19,29,36-40,55H,4,9,12-13,20-28,30H2,1H3,(H2,50,65)(H,53,66)(H,56,62)(H,57,61)(H,58,68)(H,59,69)(H,60,67)(H,63,64)(H4,51,52,54)/t36-,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of non-sulfated CCK-8 from CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50024317
(3-{2-[2-Amino-3-(1H-indol-3-yl)-propionylamino]-4-...)Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of non-sulfated CCK-8 from CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469542
(CHEMBL4278500)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6][Se;v2]c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)cc1 |r| Show InChI InChI=1S/C53H74N16O12Se/c1-81-33-17-13-31(14-18-33)27-38(63-44(73)29-82-34-19-15-32(70)16-20-34)47(76)67-39(26-30-8-3-2-4-9-30)48(77)65-36(21-22-42(54)71)46(75)68-40(28-43(55)72)49(78)66-37(11-6-24-62-53(59)60)51(80)69-25-7-12-41(69)50(79)64-35(45(56)74)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70H,5-7,10-12,21-29H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,73)(H,64,79)(H,65,77)(H,66,78)(H,67,76)(H,68,75)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [Ph-Se-acetyl]-LVA from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469545
(CHEMBL4283439)Show SMILES CCOc1ccc2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN3CCOCC3)c2c1)S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C |r,wU:10.9,13.16,(37.72,-41.64,;39.05,-40.87,;40.39,-41.64,;41.72,-40.87,;41.72,-39.32,;43.05,-38.56,;44.38,-39.32,;45.84,-38.84,;46.75,-40.1,;48.29,-40.1,;45.84,-41.34,;44.75,-42.42,;45.15,-43.91,;46.64,-44.31,;47.73,-43.22,;47.33,-41.74,;47.04,-45.8,;48.52,-46.2,;49.61,-45.11,;51.09,-45.5,;52.18,-44.41,;53.67,-44.81,;54.07,-46.3,;52.98,-47.39,;51.49,-46.99,;44.38,-40.86,;43.06,-41.63,;46.24,-37.36,;45.84,-35.87,;44.75,-36.96,;47.73,-36.97,;48.82,-38.05,;50.3,-37.65,;50.7,-36.17,;49.61,-35.08,;48.13,-35.48,;47.04,-34.39,;45.55,-34.79,;52.18,-35.77,;52.58,-34.29,;53.27,-36.86,;54.76,-36.47,;55.85,-37.55,;55.16,-34.98,;56.24,-36.07,)| Show InChI InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)/t24-,33+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 304 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469543
(CHEMBL4286989)Show SMILES [#7]-[#6@H]-1-[#6][Se;v2][#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 |r| Show InChI InChI=1S/C46H65N15O12Se/c47-27-22-74-23-33(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [125I]OH-Phpa-LVA from human V1A receptor expressed in CHO cells after 4 hrs by gamma counter analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469545
(CHEMBL4283439)Show SMILES CCOc1ccc2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN3CCOCC3)c2c1)S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C |r,wU:10.9,13.16,(37.72,-41.64,;39.05,-40.87,;40.39,-41.64,;41.72,-40.87,;41.72,-39.32,;43.05,-38.56,;44.38,-39.32,;45.84,-38.84,;46.75,-40.1,;48.29,-40.1,;45.84,-41.34,;44.75,-42.42,;45.15,-43.91,;46.64,-44.31,;47.73,-43.22,;47.33,-41.74,;47.04,-45.8,;48.52,-46.2,;49.61,-45.11,;51.09,-45.5,;52.18,-44.41,;53.67,-44.81,;54.07,-46.3,;52.98,-47.39,;51.49,-46.99,;44.38,-40.86,;43.06,-41.63,;46.24,-37.36,;45.84,-35.87,;44.75,-36.96,;47.73,-36.97,;48.82,-38.05,;50.3,-37.65,;50.7,-36.17,;49.61,-35.08,;48.13,-35.48,;47.04,-34.39,;45.55,-34.79,;52.18,-35.77,;52.58,-34.29,;53.27,-36.86,;54.76,-36.47,;55.85,-37.55,;55.16,-34.98,;56.24,-36.07,)| Show InChI InChI=1S/C33H45N3O8S/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37)/t24-,33+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Displacement of [Se-Se]-AVP from human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50469547
(CHEMBL4278080)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)C[Se]c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C49H65N11O9SSe/c1-70-25-22-37(46(67)60-40(28-43(63)64)48(69)59-38(44(50)65)26-31-14-5-2-6-15-31)58-47(68)39(27-32-29-55-35-19-11-10-18-34(32)35)57-41(61)21-9-4-12-23-53-45(66)36(20-13-24-54-49(51)52)56-42(62)30-71-33-16-7-3-8-17-33/h2-3,5-8,10-11,14-19,29,36-40,55H,4,9,12-13,20-28,30H2,1H3,(H2,50,65)(H,53,66)(H,56,62)(H,57,61)(H,58,68)(H,59,69)(H,60,67)(H,63,64)(H4,51,52,54)/t36-,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Binding affinity to CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50024317
(3-{2-[2-Amino-3-(1H-indol-3-yl)-propionylamino]-4-...)Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Binding affinity to CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50469546
(CHEMBL4286411)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC[Se]C)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C48H70N12O10SSe/c1-29(61)55-36(20-24-72-3)45(68)57-34(17-12-22-53-48(50)51)43(66)52-21-11-5-8-18-40(62)56-38(26-31-28-54-33-16-10-9-15-32(31)33)46(69)58-35(19-23-71-2)44(67)60-39(27-41(63)64)47(70)59-37(42(49)65)25-30-13-6-4-7-14-30/h4,6-7,9-10,13-16,28,34-39,54H,5,8,11-12,17-27H2,1-3H3,(H2,49,65)(H,52,66)(H,55,61)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,63,64)(H4,50,51,53)/t34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Binding affinity to CCKB receptor (unknown origin) expressed in HEK cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469542
(CHEMBL4278500)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6][Se;v2]c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)cc1 |r| Show InChI InChI=1S/C53H74N16O12Se/c1-81-33-17-13-31(14-18-33)27-38(63-44(73)29-82-34-19-15-32(70)16-20-34)47(76)67-39(26-30-8-3-2-4-9-30)48(77)65-36(21-22-42(54)71)46(75)68-40(28-43(55)72)49(78)66-37(11-6-24-62-53(59)60)51(80)69-25-7-12-41(69)50(79)64-35(45(56)74)10-5-23-61-52(57)58/h2-4,8-9,13-20,35-41,70H,5-7,10-12,21-29H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,73)(H,64,79)(H,65,77)(H,66,78)(H,67,76)(H,68,75)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Binding affinity to human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469541
(CHEMBL4289837)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-2-[#6][Se;v2][#6]-[#6@H]-2-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O)cc1 |r| Show InChI InChI=1S/C53H74N16O12Se/c1-81-34-18-13-32(14-19-34)26-38(63-44(73)22-15-30-11-16-33(70)17-12-30)47(76)67-39(25-31-7-3-2-4-8-31)48(77)65-36(20-21-42(54)71)46(75)68-40(27-43(55)72)49(78)66-37(10-6-24-62-53(59)60)51(80)69-29-82-28-41(69)50(79)64-35(45(56)74)9-5-23-61-52(57)58/h2-4,7-8,11-14,16-19,35-41,70H,5-6,9-10,15,20-29H2,1H3,(H2,54,71)(H2,55,72)(H2,56,74)(H,63,73)(H,64,79)(H,65,77)(H,66,78)(H,67,76)(H,68,75)(H4,57,58,61)(H4,59,60,62)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Binding affinity to human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469540
(CHEMBL4294901)Show SMILES [#7]-[#6@H]-1-[#6][Se;v2][Se;v2][#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 |r| Show InChI InChI=1S/C46H65N15O12Se2/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Binding affinity to human V1A receptor expressed in CHO cells after 4 hrs by RP-LC-ICPMS analysis |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50469540
(CHEMBL4294901)Show SMILES [#7]-[#6@H]-1-[#6][Se;v2][Se;v2][#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 |r| Show InChI InChI=1S/C46H65N15O12Se2/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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
University of Montpellier
Curated by ChEMBL
| Assay Description
Binding affinity to human V1A receptor expressed in CHO cell membranes |
J Med Chem 61: 10173-10184 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01320
BindingDB Entry DOI: 10.7270/Q2J105V6 |
More data for this
Ligand-Target Pair | |
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