Found 24 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 V2 receptor
(Rattus norvegicus (Rat)) | 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
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50075818
(CHEMBL157988 | Mpa1,D-Phe2,Sar7AVT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C41H63N13O12S2/c1-4-22(2)34-39(65)50-25(12-13-29(42)55)36(62)51-27(18-30(43)56)37(63)52-28(21-68-67-16-14-31(57)49-26(38(64)53-34)17-23-9-6-5-7-10-23)40(66)54(3)20-32(58)48-24(11-8-15-46-41(44)45)35(61)47-19-33(59)60/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,58)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,59,60)(H4,44,45,46)/t22-,24-,25+,26-,27-,28-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 421 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075820
(CHEMBL405165 | Mpa-D-Trp-lle-Gln-Asn-Cys-Sar-Arg-G...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H65N15O11S2/c1-4-22(2)36-41(68)54-27(11-12-31(44)59)38(65)55-29(17-32(45)60)39(66)56-30(42(69)58(3)20-35(63)52-26(10-7-14-49-43(47)48)37(64)51-19-33(46)61)21-71-70-15-13-34(62)53-28(40(67)57-36)16-23-18-50-25-9-6-5-8-24(23)25/h5-6,8-9,18,22,26-30,36,50H,4,7,10-17,19-21H2,1-3H3,(H2,44,59)(H2,45,60)(H2,46,61)(H,51,64)(H,52,63)(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H4,47,48,49)/t22-,26-,27+,28-,29-,30-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(RAT) | BDBM50075816
(CHEMBL264208 | Mca1,D-Trp2,Sar7AVT)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C51H68N14O15S/c1-5-25(2)43(64-48(76)34(17-26-21-57-31-10-7-6-9-28(26)31)61-44(72)30-19-42(71)80-37-18-27(79-4)12-13-29(30)37)49(77)60-33(14-15-38(52)66)46(74)62-35(20-39(53)67)47(75)63-36(24-81)50(78)65(3)23-40(68)59-32(11-8-16-56-51(54)55)45(73)58-22-41(69)70/h6-7,9-10,12-13,18-19,21,25,32-36,43,57,81H,5,8,11,14-17,20,22-24H2,1-4H3,(H2,52,66)(H2,53,67)(H,58,73)(H,59,68)(H,60,77)(H,61,72)(H,62,74)(H,63,75)(H,64,76)(H,69,70)(H4,54,55,56)/t25-,32-,33-,34+,35-,36-,43-/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50403724
(CHEMBL2110297)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 5.34E+3 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50075817
(CHEMBL2371240 | Mpa-Car-lle-Gln-Asn-Cys-Sar-Arg-Gl...)Show SMILES [H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)| Show InChI InChI=1S/C44H65N15O11S2/c1-4-22(2)35-41(68)54-27(11-12-30(45)60)39(66)55-28(18-31(46)61)40(67)56-29(43(70)58(3)20-33(63)52-26(10-7-15-50-44(48)49)38(65)51-19-32(47)62)21-72-71-17-14-34(64)59-16-13-24-23-8-5-6-9-25(23)53-36(24)37(59)42(69)57-35/h5-6,8-9,22,26-29,35,37,53H,4,7,10-21H2,1-3H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,63)(H,54,68)(H,55,66)(H,56,67)(H,57,69)(H4,48,49,50)/t22-,26-,27-,28-,29+,35-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(RAT) | BDBM50403723
(CHEMBL2110163)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43-/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(RAT) | 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 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075816
(CHEMBL264208 | Mca1,D-Trp2,Sar7AVT)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C51H68N14O15S/c1-5-25(2)43(64-48(76)34(17-26-21-57-31-10-7-6-9-28(26)31)61-44(72)30-19-42(71)80-37-18-27(79-4)12-13-29(30)37)49(77)60-33(14-15-38(52)66)46(74)62-35(20-39(53)67)47(75)63-36(24-81)50(78)65(3)23-40(68)59-32(11-8-16-56-51(54)55)45(73)58-22-41(69)70/h6-7,9-10,12-13,18-19,21,25,32-36,43,57,81H,5,8,11,14-17,20,22-24H2,1-4H3,(H2,52,66)(H2,53,67)(H,58,73)(H,59,68)(H,60,77)(H,61,72)(H,62,74)(H,63,75)(H,64,76)(H,69,70)(H4,54,55,56)/t25-,32-,33-,34+,35-,36-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50403723
(CHEMBL2110163)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(RAT) | BDBM50075817
(CHEMBL2371240 | Mpa-Car-lle-Gln-Asn-Cys-Sar-Arg-Gl...)Show SMILES [H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)| Show InChI InChI=1S/C44H65N15O11S2/c1-4-22(2)35-41(68)54-27(11-12-30(45)60)39(66)55-28(18-31(46)61)40(67)56-29(43(70)58(3)20-33(63)52-26(10-7-15-50-44(48)49)38(65)51-19-32(47)62)21-72-71-17-14-34(64)59-16-13-24-23-8-5-6-9-25(23)53-36(24)37(59)42(69)57-35/h5-6,8-9,22,26-29,35,37,53H,4,7,10-21H2,1-3H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,63)(H,54,68)(H,55,66)(H,56,67)(H,57,69)(H4,48,49,50)/t22-,26-,27-,28-,29+,35-,37-/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075817
(CHEMBL2371240 | Mpa-Car-lle-Gln-Asn-Cys-Sar-Arg-Gl...)Show SMILES [H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)| Show InChI InChI=1S/C44H65N15O11S2/c1-4-22(2)35-41(68)54-27(11-12-30(45)60)39(66)55-28(18-31(46)61)40(67)56-29(43(70)58(3)20-33(63)52-26(10-7-15-50-44(48)49)38(65)51-19-32(47)62)21-72-71-17-14-34(64)59-16-13-24-23-8-5-6-9-25(23)53-36(24)37(59)42(69)57-35/h5-6,8-9,22,26-29,35,37,53H,4,7,10-21H2,1-3H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,63)(H,54,68)(H,55,66)(H,56,67)(H,57,69)(H4,48,49,50)/t22-,26-,27-,28-,29+,35-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 5.74E+4 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(RAT) | BDBM50075818
(CHEMBL157988 | Mpa1,D-Phe2,Sar7AVT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C41H63N13O12S2/c1-4-22(2)34-39(65)50-25(12-13-29(42)55)36(62)51-27(18-30(43)56)37(63)52-28(21-68-67-16-14-31(57)49-26(38(64)53-34)17-23-9-6-5-7-10-23)40(66)54(3)20-32(58)48-24(11-8-15-46-41(44)45)35(61)47-19-33(59)60/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,58)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,59,60)(H4,44,45,46)/t22-,24-,25+,26-,27-,28-,34-/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(RAT) | BDBM50403724
(CHEMBL2110297)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.64E+3 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(RAT) | BDBM50075820
(CHEMBL405165 | Mpa-D-Trp-lle-Gln-Asn-Cys-Sar-Arg-G...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H65N15O11S2/c1-4-22(2)36-41(68)54-27(11-12-31(44)59)38(65)55-29(17-32(45)60)39(66)56-30(42(69)58(3)20-35(63)52-26(10-7-14-49-43(47)48)37(64)51-19-33(46)61)21-71-70-15-13-34(62)53-28(40(67)57-36)16-23-18-50-25-9-6-5-8-24(23)25/h5-6,8-9,18,22,26-30,36,50H,4,7,10-17,19-21H2,1-3H3,(H2,44,59)(H2,45,60)(H2,46,61)(H,51,64)(H,52,63)(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H4,47,48,49)/t22-,26-,27+,28-,29-,30-,36-/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 888 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50075817
(CHEMBL2371240 | Mpa-Car-lle-Gln-Asn-Cys-Sar-Arg-Gl...)Show SMILES [H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)| Show InChI InChI=1S/C44H65N15O11S2/c1-4-22(2)35-41(68)54-27(11-12-30(45)60)39(66)55-28(18-31(46)61)40(67)56-29(43(70)58(3)20-33(63)52-26(10-7-15-50-44(48)49)38(65)51-19-32(47)62)21-72-71-17-14-34(64)59-16-13-24-23-8-5-6-9-25(23)53-36(24)37(59)42(69)57-35/h5-6,8-9,22,26-29,35,37,53H,4,7,10-21H2,1-3H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,63)(H,54,68)(H,55,66)(H,56,67)(H,57,69)(H4,48,49,50)/t22-,26-,27-,28-,29+,35-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50075820
(CHEMBL405165 | Mpa-D-Trp-lle-Gln-Asn-Cys-Sar-Arg-G...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H65N15O11S2/c1-4-22(2)36-41(68)54-27(11-12-31(44)59)38(65)55-29(17-32(45)60)39(66)56-30(42(69)58(3)20-35(63)52-26(10-7-14-49-43(47)48)37(64)51-19-33(46)61)21-71-70-15-13-34(62)53-28(40(67)57-36)16-23-18-50-25-9-6-5-8-24(23)25/h5-6,8-9,18,22,26-30,36,50H,4,7,10-17,19-21H2,1-3H3,(H2,44,59)(H2,45,60)(H2,46,61)(H,51,64)(H,52,63)(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,67)(H4,47,48,49)/t22-,26-,27+,28-,29-,30-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 4.96E+3 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075818
(CHEMBL157988 | Mpa1,D-Phe2,Sar7AVT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C41H63N13O12S2/c1-4-22(2)34-39(65)50-25(12-13-29(42)55)36(62)51-27(18-30(43)56)37(63)52-28(21-68-67-16-14-31(57)49-26(38(64)53-34)17-23-9-6-5-7-10-23)40(66)54(3)20-32(58)48-24(11-8-15-46-41(44)45)35(61)47-19-33(59)60/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,58)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,59,60)(H4,44,45,46)/t22-,24-,25+,26-,27-,28-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
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
| PubMed
| n/a | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50403724
(CHEMBL2110297)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 1.92E+3 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V1a/V1b receptor
(RAT) | BDBM50075817
(CHEMBL2371240 | Mpa-Car-lle-Gln-Asn-Cys-Sar-Arg-Gl...)Show SMILES [H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)| Show InChI InChI=1S/C44H65N15O11S2/c1-4-22(2)35-41(68)54-27(11-12-30(45)60)39(66)55-28(18-31(46)61)40(67)56-29(43(70)58(3)20-33(63)52-26(10-7-15-50-44(48)49)38(65)51-19-32(47)62)21-72-71-17-14-34(64)59-16-13-24-23-8-5-6-9-25(23)53-36(24)37(59)42(69)57-35/h5-6,8-9,22,26-29,35,37,53H,4,7,10-21H2,1-3H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,63)(H,54,68)(H,55,66)(H,56,67)(H,57,69)(H4,48,49,50)/t22-,26-,27-,28-,29+,35-,37-/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50075817
(CHEMBL2371240 | Mpa-Car-lle-Gln-Asn-Cys-Sar-Arg-Gl...)Show SMILES [H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)| Show InChI InChI=1S/C44H65N15O11S2/c1-4-22(2)35-41(68)54-27(11-12-30(45)60)39(66)55-28(18-31(46)61)40(67)56-29(43(70)58(3)20-33(63)52-26(10-7-15-50-44(48)49)38(65)51-19-32(47)62)21-72-71-17-14-34(64)59-16-13-24-23-8-5-6-9-25(23)53-36(24)37(59)42(69)57-35/h5-6,8-9,22,26-29,35,37,53H,4,7,10-21H2,1-3H3,(H2,45,60)(H2,46,61)(H2,47,62)(H,51,65)(H,52,63)(H,54,68)(H,55,66)(H,56,67)(H,57,69)(H4,48,49,50)/t22-,26-,27-,28-,29+,35-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 5.75E+4 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50075816
(CHEMBL264208 | Mca1,D-Trp2,Sar7AVT)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O Show InChI InChI=1S/C51H68N14O15S/c1-5-25(2)43(64-48(76)34(17-26-21-57-31-10-7-6-9-28(26)31)61-44(72)30-19-42(71)80-37-18-27(79-4)12-13-29(30)37)49(77)60-33(14-15-38(52)66)46(74)62-35(20-39(53)67)47(75)63-36(24-81)50(78)65(3)23-40(68)59-32(11-8-16-56-51(54)55)45(73)58-22-41(69)70/h6-7,9-10,12-13,18-19,21,25,32-36,43,57,81H,5,8,11,14-17,20,22-24H2,1-4H3,(H2,52,66)(H2,53,67)(H,58,73)(H,59,68)(H,60,77)(H,61,72)(H,62,74)(H,63,75)(H,64,76)(H,69,70)(H4,54,55,56)/t25-,32-,33-,34+,35-,36-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
Vasopressin V2 receptor
(Rattus norvegicus (Rat)) | BDBM50403723
(CHEMBL2110163)Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 2.29E+3 | n/a | n/a | n/a | n/a | n/a |
Albert Szent-Gy£rgyi Medical University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor |
Bioorg Med Chem Lett 9: 667-72 (1999)
BindingDB Entry DOI: 10.7270/Q2QC040K |
More data for this
Ligand-Target Pair | |
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