Found 4 hits for monomerid = 50397218 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50397218
(CHEMBL2172292)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(31.1,-9.95,;32.44,-10.72,;32.43,-12.26,;31.09,-13.03,;29.76,-12.25,;33.76,-13.04,;33.76,-14.58,;35.09,-15.34,;36.42,-14.58,;37.74,-15.36,;37.73,-16.9,;39.05,-17.68,;39.03,-19.23,;37.69,-19.98,;36.37,-19.19,;36.39,-17.65,;35.07,-16.86,;33.96,-15.76,;35.83,-15.52,;33.72,-17.62,;32.4,-16.82,;31.05,-17.59,;29.72,-16.79,;28.38,-17.55,;27.06,-16.76,;25.71,-17.51,;24.39,-16.73,;23.04,-17.48,;21.72,-16.69,;20.37,-17.44,;19.05,-16.65,;17.71,-17.41,;16.23,-16.96,;15.35,-18.22,;13.81,-18.23,;13.03,-16.91,;11.49,-16.92,;10.73,-18.27,;10.7,-15.6,;9.16,-15.61,;8.37,-14.28,;9.13,-12.95,;6.83,-14.31,;5.95,-15.57,;6.71,-16.9,;6.13,-18.33,;4.63,-18.77,;3.38,-17.9,;2.03,-18.66,;.71,-17.87,;2.02,-20.2,;3.35,-20.98,;3.33,-22.52,;2,-23.27,;1.98,-24.82,;3.31,-25.59,;4.65,-24.84,;3.3,-27.14,;1.95,-27.9,;1.95,-29.44,;3.28,-30.22,;4.61,-29.45,;4.62,-27.91,;5.97,-27.15,;.66,-22.5,;.68,-20.96,;3.28,-16.36,;1.81,-15.9,;1.47,-14.39,;2.62,-13.33,;4.09,-13.8,;4.44,-15.31,;16.27,-19.45,;17.73,-18.96,;37.67,-21.51,;36.33,-22.26,;38.99,-20.73,;38.99,-22.27,;39.07,-14.59,;40.39,-15.37,;41.72,-14.62,;41.74,-13.09,;40.42,-12.31,;39.1,-13.06,;37.76,-12.27,;36.42,-13.05,;35.1,-12.27,;43.08,-12.32,;44.4,-13.1,;45.75,-12.33,;43.09,-10.78,;44.42,-10.02,)| Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(92(84,85)86)43-62(57)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins |
J Med Chem 55: 8588-602 (2012)
Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5 |
More data for this
Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50397218
(CHEMBL2172292)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(31.1,-9.95,;32.44,-10.72,;32.43,-12.26,;31.09,-13.03,;29.76,-12.25,;33.76,-13.04,;33.76,-14.58,;35.09,-15.34,;36.42,-14.58,;37.74,-15.36,;37.73,-16.9,;39.05,-17.68,;39.03,-19.23,;37.69,-19.98,;36.37,-19.19,;36.39,-17.65,;35.07,-16.86,;33.96,-15.76,;35.83,-15.52,;33.72,-17.62,;32.4,-16.82,;31.05,-17.59,;29.72,-16.79,;28.38,-17.55,;27.06,-16.76,;25.71,-17.51,;24.39,-16.73,;23.04,-17.48,;21.72,-16.69,;20.37,-17.44,;19.05,-16.65,;17.71,-17.41,;16.23,-16.96,;15.35,-18.22,;13.81,-18.23,;13.03,-16.91,;11.49,-16.92,;10.73,-18.27,;10.7,-15.6,;9.16,-15.61,;8.37,-14.28,;9.13,-12.95,;6.83,-14.31,;5.95,-15.57,;6.71,-16.9,;6.13,-18.33,;4.63,-18.77,;3.38,-17.9,;2.03,-18.66,;.71,-17.87,;2.02,-20.2,;3.35,-20.98,;3.33,-22.52,;2,-23.27,;1.98,-24.82,;3.31,-25.59,;4.65,-24.84,;3.3,-27.14,;1.95,-27.9,;1.95,-29.44,;3.28,-30.22,;4.61,-29.45,;4.62,-27.91,;5.97,-27.15,;.66,-22.5,;.68,-20.96,;3.28,-16.36,;1.81,-15.9,;1.47,-14.39,;2.62,-13.33,;4.09,-13.8,;4.44,-15.31,;16.27,-19.45,;17.73,-18.96,;37.67,-21.51,;36.33,-22.26,;38.99,-20.73,;38.99,-22.27,;39.07,-14.59,;40.39,-15.37,;41.72,-14.62,;41.74,-13.09,;40.42,-12.31,;39.1,-13.06,;37.76,-12.27,;36.42,-13.05,;35.1,-12.27,;43.08,-12.32,;44.4,-13.1,;45.75,-12.33,;43.09,-10.78,;44.42,-10.02,)| Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(92(84,85)86)43-62(57)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AVP from human vasopressin V1a receptor expressed in CHO cells after 30 mins |
J Med Chem 55: 8588-602 (2012)
Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5 |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50397218
(CHEMBL2172292)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(31.1,-9.95,;32.44,-10.72,;32.43,-12.26,;31.09,-13.03,;29.76,-12.25,;33.76,-13.04,;33.76,-14.58,;35.09,-15.34,;36.42,-14.58,;37.74,-15.36,;37.73,-16.9,;39.05,-17.68,;39.03,-19.23,;37.69,-19.98,;36.37,-19.19,;36.39,-17.65,;35.07,-16.86,;33.96,-15.76,;35.83,-15.52,;33.72,-17.62,;32.4,-16.82,;31.05,-17.59,;29.72,-16.79,;28.38,-17.55,;27.06,-16.76,;25.71,-17.51,;24.39,-16.73,;23.04,-17.48,;21.72,-16.69,;20.37,-17.44,;19.05,-16.65,;17.71,-17.41,;16.23,-16.96,;15.35,-18.22,;13.81,-18.23,;13.03,-16.91,;11.49,-16.92,;10.73,-18.27,;10.7,-15.6,;9.16,-15.61,;8.37,-14.28,;9.13,-12.95,;6.83,-14.31,;5.95,-15.57,;6.71,-16.9,;6.13,-18.33,;4.63,-18.77,;3.38,-17.9,;2.03,-18.66,;.71,-17.87,;2.02,-20.2,;3.35,-20.98,;3.33,-22.52,;2,-23.27,;1.98,-24.82,;3.31,-25.59,;4.65,-24.84,;3.3,-27.14,;1.95,-27.9,;1.95,-29.44,;3.28,-30.22,;4.61,-29.45,;4.62,-27.91,;5.97,-27.15,;.66,-22.5,;.68,-20.96,;3.28,-16.36,;1.81,-15.9,;1.47,-14.39,;2.62,-13.33,;4.09,-13.8,;4.44,-15.31,;16.27,-19.45,;17.73,-18.96,;37.67,-21.51,;36.33,-22.26,;38.99,-20.73,;38.99,-22.27,;39.07,-14.59,;40.39,-15.37,;41.72,-14.62,;41.74,-13.09,;40.42,-12.31,;39.1,-13.06,;37.76,-12.27,;36.42,-13.05,;35.1,-12.27,;43.08,-12.32,;44.4,-13.1,;45.75,-12.33,;43.09,-10.78,;44.42,-10.02,)| Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(92(84,85)86)43-62(57)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86) | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AVP from human vasopressin V1b receptor expressed in CHO cells after 30 mins |
J Med Chem 55: 8588-602 (2012)
Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50397218
(CHEMBL2172292)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc45)nn3)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(31.1,-9.95,;32.44,-10.72,;32.43,-12.26,;31.09,-13.03,;29.76,-12.25,;33.76,-13.04,;33.76,-14.58,;35.09,-15.34,;36.42,-14.58,;37.74,-15.36,;37.73,-16.9,;39.05,-17.68,;39.03,-19.23,;37.69,-19.98,;36.37,-19.19,;36.39,-17.65,;35.07,-16.86,;33.96,-15.76,;35.83,-15.52,;33.72,-17.62,;32.4,-16.82,;31.05,-17.59,;29.72,-16.79,;28.38,-17.55,;27.06,-16.76,;25.71,-17.51,;24.39,-16.73,;23.04,-17.48,;21.72,-16.69,;20.37,-17.44,;19.05,-16.65,;17.71,-17.41,;16.23,-16.96,;15.35,-18.22,;13.81,-18.23,;13.03,-16.91,;11.49,-16.92,;10.73,-18.27,;10.7,-15.6,;9.16,-15.61,;8.37,-14.28,;9.13,-12.95,;6.83,-14.31,;5.95,-15.57,;6.71,-16.9,;6.13,-18.33,;4.63,-18.77,;3.38,-17.9,;2.03,-18.66,;.71,-17.87,;2.02,-20.2,;3.35,-20.98,;3.33,-22.52,;2,-23.27,;1.98,-24.82,;3.31,-25.59,;4.65,-24.84,;3.3,-27.14,;1.95,-27.9,;1.95,-29.44,;3.28,-30.22,;4.61,-29.45,;4.62,-27.91,;5.97,-27.15,;.66,-22.5,;.68,-20.96,;3.28,-16.36,;1.81,-15.9,;1.47,-14.39,;2.62,-13.33,;4.09,-13.8,;4.44,-15.31,;16.27,-19.45,;17.73,-18.96,;37.67,-21.51,;36.33,-22.26,;38.99,-20.73,;38.99,-22.27,;39.07,-14.59,;40.39,-15.37,;41.72,-14.62,;41.74,-13.09,;40.42,-12.31,;39.1,-13.06,;37.76,-12.27,;36.42,-13.05,;35.1,-12.27,;43.08,-12.32,;44.4,-13.1,;45.75,-12.33,;43.09,-10.78,;44.42,-10.02,)| Show InChI InChI=1S/C67H78N10O13S2/c1-6-74(7-2)50-24-27-55-60(41-50)90-61-42-51(75(8-3)9-4)25-28-56(61)65(55)57-29-26-52(92(84,85)86)43-62(57)91(82,83)69-32-35-87-37-39-89-40-38-88-36-34-76-45-49(72-73-76)44-68-63(78)30-31-64(79)71-58-18-14-33-77(59-19-13-12-17-54(58)59)67(81)47-20-22-48(23-21-47)70-66(80)53-16-11-10-15-46(53)5/h10-13,15-17,19-29,41-43,45,58,69H,6-9,14,18,30-40,44H2,1-5H3,(H3-,68,70,71,78,79,80,81,84,85,86) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 307 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-AVP from human oxytocin receptor expressed in CHO cells after 30 mins |
J Med Chem 55: 8588-602 (2012)
Article DOI: 10.1021/jm3006146
BindingDB Entry DOI: 10.7270/Q28G8MT5 |
More data for this
Ligand-Target Pair | |
Search and Browse
