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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'kiczun' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418929
PNG
(CHEMBL1807272)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1
Show InChI InChI=1/C29H37ClFN3O2/c1-34(2)25-15-13-24(14-16-25)32-27(35)26(19-20-5-9-22(30)10-6-20)33-28(36)29(17-3-4-18-29)21-7-11-23(31)12-8-21/h5-12,24-26H,3-4,13-19H2,1-2H3,(H,32,35)(H,33,36)/t24-,25-,26-/s2
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0.0372n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418907
PNG
(CHEMBL1807267)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C27H33Cl2N3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/s2
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0.0398n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418909
PNG
(CHEMBL1807270)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1/C28H35Cl2N3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/s2
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0.0955n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418906
PNG
(CHEMBL1807266)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C25H31Cl2N3O2/c1-30(2)22-13-11-21(12-14-22)28-25(32)23(15-17-3-7-19(26)8-4-17)29-24(31)16-18-5-9-20(27)10-6-18/h3-10,21-23H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22-,23-/s2
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0.182n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418914
PNG
(CHEMBL1807281)
Show SMILES OC1CCCCC1NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-17-9-5-15(6-10-17)13-20(23(30)27-19-3-1-2-4-21(19)28)26-22(29)14-16-7-11-18(25)12-8-16/h5-12,19-21,28H,1-4,13-14H2,(H,26,29)(H,27,30)/t19?,20-,21?/s2
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0.209n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418366
PNG
(CHEMBL1774023)
Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1/C24H27Cl2N3O2/c25-17-5-1-15(2-6-17)11-22(29-23(30)12-16-3-7-18(26)8-4-16)24(31)28-21-13-19-9-10-20(14-21)27-19/h1-8,19-22,27H,9-14H2,(H,28,31)(H,29,30)/t19-,20+,21+,22-/s2
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0.234n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418905
PNG
(CHEMBL1807273)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(F)cc1
Show InChI InChI=1/C27H33ClFN3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/s2
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0.240n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418910
PNG
(CHEMBL1807271)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(F)cc1
Show InChI InChI=1/C28H35ClFN3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/s2
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0.251n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418930
PNG
(CHEMBL1807278)
Show SMILES CC(CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C21H24Cl2N2O3/c1-14(10-11-26)24-21(28)19(12-15-2-6-17(22)7-3-15)25-20(27)13-16-4-8-18(23)9-5-16/h2-9,14,19,26H,10-13H2,1H3,(H,24,28)(H,25,27)/t14?,19-/s2
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0.372n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418908
PNG
(CHEMBL1807268)
Show SMILES COc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@H]2CC[C@@H](CC2)N(C)C)cc1
Show InChI InChI=1/C28H36ClN3O3/c1-32(2)23-12-10-22(11-13-23)30-26(33)25(18-19-4-14-24(35-3)15-5-19)31-27(34)28(16-17-28)20-6-8-21(29)9-7-20/h4-9,14-15,22-23,25H,10-13,16-18H2,1-3H3,(H,30,33)(H,31,34)/t22-,23-,25-/s2
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0.525n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418928
PNG
(CHEMBL1807259)
Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1/C25H32Cl2N4O2/c1-30-13-15-31(16-14-30)12-2-11-28-25(33)23(17-19-3-7-21(26)8-4-19)29-24(32)18-20-5-9-22(27)10-6-20/h3-10,23H,2,11-18H2,1H3,(H,28,33)(H,29,32)/t23-/s2
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0.550n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418924
PNG
(CHEMBL1807256)
Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)NC2CCCNCC2)cc1
Show InChI InChI=1/C23H27Cl2N3O2/c24-18-7-3-16(4-8-18)14-21(23(30)27-20-2-1-12-26-13-11-20)28-22(29)15-17-5-9-19(25)10-6-17/h3-10,20-21,26H,1-2,11-15H2,(H,27,30)(H,28,29)/t20?,21-/s2
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0.617n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418913
PNG
(CHEMBL1807279)
Show SMILES OC1CCCC(C1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-17-8-4-15(5-9-17)12-21(23(30)26-19-2-1-3-20(28)14-19)27-22(29)13-16-6-10-18(25)11-7-16/h4-11,19-21,28H,1-3,12-14H2,(H,26,30)(H,27,29)/t19?,20?,21-/s2
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0.676n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418911
PNG
(CHEMBL1807274)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1/C25H31ClFN3O2/c1-30(2)22-13-11-21(12-14-22)28-25(32)23(15-17-3-7-19(26)8-4-17)29-24(31)16-18-5-9-20(27)10-6-18/h3-10,21-23H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22-,23-/s2
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1.12n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418929
PNG
(CHEMBL1807272)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1
Show InChI InChI=1/C29H37ClFN3O2/c1-34(2)25-15-13-24(14-16-25)32-27(35)26(19-20-5-9-22(30)10-6-20)33-28(36)29(17-3-4-18-29)21-7-11-23(31)12-8-21/h5-12,24-26H,3-4,13-19H2,1-2H3,(H,32,35)(H,33,36)/t24-,25-,26-/s2
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1.38n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418907
PNG
(CHEMBL1807267)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C27H33Cl2N3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/s2
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1.70n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418923
PNG
(CHEMBL1807280)
Show SMILES O[C@H]1CC[C@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-17-5-1-15(2-6-17)13-21(23(30)26-19-9-11-20(28)12-10-19)27-22(29)14-16-3-7-18(25)8-4-16/h1-8,19-21,28H,9-14H2,(H,26,30)(H,27,29)/t19-,20+,21-/s2
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1.78n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418912
PNG
(CHEMBL1807277)
Show SMILES CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C21H24Cl2N2O3/c1-14(26)10-11-24-21(28)19(12-15-2-6-17(22)7-3-15)25-20(27)13-16-4-8-18(23)9-5-16/h2-9,14,19,26H,10-13H2,1H3,(H,24,28)(H,25,27)/t14?,19-/s2
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2.09n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418909
PNG
(CHEMBL1807270)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1/C28H35Cl2N3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/s2
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2.09n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418905
PNG
(CHEMBL1807273)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(F)cc1
Show InChI InChI=1/C27H33ClFN3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-7-20(28)8-4-18)31-26(34)27(15-16-27)19-5-9-21(29)10-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/s2
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2.29n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418912
PNG
(CHEMBL1807277)
Show SMILES CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C21H24Cl2N2O3/c1-14(26)10-11-24-21(28)19(12-15-2-6-17(22)7-3-15)25-20(27)13-16-4-8-18(23)9-5-16/h2-9,14,19,26H,10-13H2,1H3,(H,24,28)(H,25,27)/t14?,19-/s2
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2.75n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418927
PNG
(CHEMBL1807263)
Show SMILES CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C20H22Cl2N2O2/c1-2-11-23-20(26)18(12-14-3-7-16(21)8-4-14)24-19(25)13-15-5-9-17(22)10-6-15/h3-10,18H,2,11-13H2,1H3,(H,23,26)(H,24,25)/t18-/s2
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3.02n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418913
PNG
(CHEMBL1807279)
Show SMILES OC1CCCC(C1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-17-8-4-15(5-9-17)12-21(23(30)26-19-2-1-3-20(28)14-19)27-22(29)13-16-6-10-18(25)11-7-16/h4-11,19-21,28H,1-3,12-14H2,(H,26,30)(H,27,29)/t19?,20?,21-/s2
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4.27n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418925
PNG
(CHEMBL1807257)
Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)NC2CCNCC2)cc1
Show InChI InChI=1/C22H25Cl2N3O2/c23-17-5-1-15(2-6-17)13-20(22(29)26-19-9-11-25-12-10-19)27-21(28)14-16-3-7-18(24)8-4-16/h1-8,19-20,25H,9-14H2,(H,26,29)(H,27,28)/t20-/s2
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4.68n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418910
PNG
(CHEMBL1807271)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(F)cc1
Show InChI InChI=1/C28H35ClFN3O2/c1-33(2)24-14-12-23(13-15-24)31-26(34)25(18-19-4-8-21(29)9-5-19)32-27(35)28(16-3-17-28)20-6-10-22(30)11-7-20/h4-11,23-25H,3,12-18H2,1-2H3,(H,31,34)(H,32,35)/t23-,24-,25-/s2
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4.90n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418918
PNG
(CHEMBL1807264)
Show SMILES OCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C20H22Cl2N2O3/c21-16-6-2-14(3-7-16)12-18(20(27)23-10-1-11-25)24-19(26)13-15-4-8-17(22)9-5-15/h2-9,18,25H,1,10-13H2,(H,23,27)(H,24,26)/t18-/s2
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7.08n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418922
PNG
(CHEMBL1807276)
Show SMILES OCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1
Show InChI InChI=1/C24H28ClFN2O3/c25-19-8-4-17(5-9-19)16-21(22(30)27-14-3-15-29)28-23(31)24(12-1-2-13-24)18-6-10-20(26)11-7-18/h4-11,21,29H,1-3,12-16H2,(H,27,30)(H,28,31)/t21-/s2
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7.08n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418906
PNG
(CHEMBL1807266)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C25H31Cl2N3O2/c1-30(2)22-13-11-21(12-14-22)28-25(32)23(15-17-3-7-19(26)8-4-17)29-24(31)16-18-5-9-20(27)10-6-18/h3-10,21-23H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22-,23-/s2
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8.13n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418914
PNG
(CHEMBL1807281)
Show SMILES OC1CCCCC1NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-17-9-5-15(6-10-17)13-20(23(30)27-19-3-1-2-4-21(19)28)26-22(29)14-16-7-11-18(25)12-8-16/h5-12,19-21,28H,1-4,13-14H2,(H,26,29)(H,27,30)/t19?,20-,21?/s2
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9.33n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418926
PNG
(CHEMBL1807258)
Show SMILES CN1CCC(CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H27Cl2N3O2/c1-28-12-10-20(11-13-28)26-23(30)21(14-16-2-6-18(24)7-3-16)27-22(29)15-17-4-8-19(25)9-5-17/h2-9,20-21H,10-15H2,1H3,(H,26,30)(H,27,29)/t21-/s2
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11.0n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418928
PNG
(CHEMBL1807259)
Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1/C25H32Cl2N4O2/c1-30-13-15-31(16-14-30)12-2-11-28-25(33)23(17-19-3-7-21(26)8-4-19)29-24(32)18-20-5-9-22(27)10-6-20/h3-10,23H,2,11-18H2,1H3,(H,28,33)(H,29,32)/t23-/s2
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12.0n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418908
PNG
(CHEMBL1807268)
Show SMILES COc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@H]2CC[C@@H](CC2)N(C)C)cc1
Show InChI InChI=1/C28H36ClN3O3/c1-32(2)23-12-10-22(11-13-23)30-26(33)25(18-19-4-14-24(35-3)15-5-19)31-27(34)28(16-17-28)20-6-8-21(29)9-7-20/h4-9,14-15,22-23,25H,10-13,16-18H2,1-3H3,(H,30,33)(H,31,34)/t22-,23-,25-/s2
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13.8n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418930
PNG
(CHEMBL1807278)
Show SMILES CC(CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C21H24Cl2N2O3/c1-14(10-11-26)24-21(28)19(12-15-2-6-17(22)7-3-15)25-20(27)13-16-4-8-18(23)9-5-16/h2-9,14,19,26H,10-13H2,1H3,(H,24,28)(H,25,27)/t14?,19-/s2
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14.4n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418919
PNG
(CHEMBL1807265)
Show SMILES OCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H24Cl2N2O3/c23-17-6-2-15(3-7-17)14-19(20(28)25-12-1-13-27)26-21(29)22(10-11-22)16-4-8-18(24)9-5-16/h2-9,19,27H,1,10-14H2,(H,25,28)(H,26,29)/t19-/s2
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18.6n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418366
PNG
(CHEMBL1774023)
Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1/C24H27Cl2N3O2/c25-17-5-1-15(2-6-17)11-22(29-23(30)12-16-3-7-18(26)8-4-16)24(31)28-21-13-19-9-10-20(14-21)27-19/h1-8,19-22,27H,9-14H2,(H,28,31)(H,29,30)/t19-,20+,21+,22-/s2
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21.9n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418915
PNG
(CHEMBL1807260)
Show SMILES CN(C)CC1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C25H31Cl2N3O2/c1-29(2)17-20-11-13-30(14-12-20)25(32)23(15-18-3-7-21(26)8-4-18)28-24(31)16-19-5-9-22(27)10-6-19/h3-10,20,23H,11-17H2,1-2H3,(H,28,31)/t23-/s2
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27.5n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418921
PNG
(CHEMBL1807275)
Show SMILES OCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCC1)c1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-18-7-3-16(4-8-18)15-20(21(29)26-13-2-14-28)27-22(30)23(11-1-12-23)17-5-9-19(25)10-6-17/h3-10,20,28H,1-2,11-15H2,(H,26,29)(H,27,30)/t20-/s2
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28.2n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418914
PNG
(CHEMBL1807281)
Show SMILES OC1CCCCC1NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-17-9-5-15(6-10-17)13-20(23(30)27-19-3-1-2-4-21(19)28)26-22(29)14-16-7-11-18(25)12-8-16/h5-12,19-21,28H,1-4,13-14H2,(H,26,29)(H,27,30)/t19?,20-,21?/s2
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39.8n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418924
PNG
(CHEMBL1807256)
Show SMILES Clc1ccc(C[C@@H](NC(=O)Cc2ccc(Cl)cc2)C(=O)NC2CCCNCC2)cc1
Show InChI InChI=1/C23H27Cl2N3O2/c24-18-7-3-16(4-8-18)14-21(23(30)27-20-2-1-12-26-13-11-20)28-22(29)15-17-5-9-19(25)10-6-17/h3-10,20-21,26H,1-2,11-15H2,(H,27,30)(H,28,29)/t20?,21-/s2
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58.9n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418920
PNG
(CHEMBL1807269)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C27H33ClFN3O2/c1-32(2)23-13-11-22(12-14-23)30-25(33)24(17-18-3-9-21(29)10-4-18)31-26(34)27(15-16-27)19-5-7-20(28)8-6-19/h3-10,22-24H,11-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,23-,24-/s2
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63.1n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418911
PNG
(CHEMBL1807274)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1/C25H31ClFN3O2/c1-30(2)22-13-11-21(12-14-22)28-25(32)23(15-17-3-7-19(26)8-4-17)29-24(31)16-18-5-9-20(27)10-6-18/h3-10,21-23H,11-16H2,1-2H3,(H,28,32)(H,29,31)/t21-,22-,23-/s2
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69.2n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418917
PNG
(CHEMBL1807262)
Show SMILES CN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C24H29Cl2N3O2/c1-29(2)15-3-14-27-22(30)21(16-17-4-8-19(25)9-5-17)28-23(31)24(12-13-24)18-6-10-20(26)11-7-18/h4-11,21H,3,12-16H2,1-2H3,(H,27,30)(H,28,31)/t21-/s2
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89.1n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418919
PNG
(CHEMBL1807265)
Show SMILES OCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1/C22H24Cl2N2O3/c23-17-6-2-15(3-7-17)14-19(20(28)25-12-1-13-27)26-21(29)22(10-11-22)16-4-8-18(24)9-5-16/h2-9,19,27H,1,10-14H2,(H,25,28)(H,26,29)/t19-/s2
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97.7n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418912
PNG
(CHEMBL1807277)
Show SMILES CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C21H24Cl2N2O3/c1-14(26)10-11-24-21(28)19(12-15-2-6-17(22)7-3-15)25-20(27)13-16-4-8-18(23)9-5-16/h2-9,14,19,26H,10-13H2,1H3,(H,24,28)(H,25,27)/t14?,19-/s2
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115n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418922
PNG
(CHEMBL1807276)
Show SMILES OCCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1
Show InChI InChI=1/C24H28ClFN2O3/c25-19-8-4-17(5-9-19)16-21(22(30)27-14-3-15-29)28-23(31)24(12-1-2-13-24)18-6-10-20(26)11-7-18/h4-11,21,29H,1-3,12-16H2,(H,27,30)(H,28,31)/t21-/s2
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129n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418913
PNG
(CHEMBL1807279)
Show SMILES OC1CCCC(C1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-17-8-4-15(5-9-17)12-21(23(30)26-19-2-1-3-20(28)14-19)27-22(29)13-16-6-10-18(25)11-7-16/h4-11,19-21,28H,1-3,12-14H2,(H,26,30)(H,27,29)/t19?,20?,21-/s2
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129n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418923
PNG
(CHEMBL1807280)
Show SMILES O[C@H]1CC[C@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H26Cl2N2O3/c24-17-5-1-15(2-6-17)13-21(23(30)26-19-9-11-20(28)12-10-19)27-22(29)14-16-3-7-18(25)8-4-16/h1-8,19-21,28H,9-14H2,(H,26,30)(H,27,29)/t19-,20+,21-/s2
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129n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418912
PNG
(CHEMBL1807277)
Show SMILES CC(O)CCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C21H24Cl2N2O3/c1-14(26)10-11-24-21(28)19(12-15-2-6-17(22)7-3-15)25-20(27)13-16-4-8-18(23)9-5-16/h2-9,14,19,26H,10-13H2,1H3,(H,24,28)(H,25,27)/t14?,19-/s2
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170n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50418916
PNG
(CHEMBL1807261)
Show SMILES CN(C)CCCNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C22H27Cl2N3O2/c1-27(2)13-3-12-25-22(29)20(14-16-4-8-18(23)9-5-16)26-21(28)15-17-6-10-19(24)11-7-17/h4-11,20H,3,12-15H2,1-2H3,(H,25,29)(H,26,28)/t20-/s2
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170n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50418926
PNG
(CHEMBL1807258)
Show SMILES CN1CCC(CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1/C23H27Cl2N3O2/c1-28-12-10-20(11-13-28)26-23(30)21(14-16-2-6-18(24)7-3-16)27-22(29)15-17-4-8-19(25)9-5-17/h2-9,20-21H,10-15H2,1H3,(H,26,30)(H,27,29)/t21-/s2
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191n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 4622-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.092
BindingDB Entry DOI: 10.7270/Q20866KR
More data for this
Ligand-Target Pair
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