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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'best' and Initial = 's'   
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 V1b receptor


(Homo sapiens (Human))		BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)		BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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 1n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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 19n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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 22n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1a receptor at 5 uM

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))		BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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 325n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V2 receptor

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]haloperidol binding to dopamine receptor in rat striatal homogenate

J Med Chem 28: 1811-7 (1985)


BindingDB Entry DOI: 10.7270/Q2KW5J7H
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.

J Med Chem 28: 606-12 (1985)


BindingDB Entry DOI: 10.7270/Q2TB193Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.

J Med Chem 28: 606-12 (1985)


BindingDB Entry DOI: 10.7270/Q2TB193Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50225369
PNG
(CHEMBL295712)
Show SMILES Fc1ccc(cc1)N(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N4O/c29-22-7-11-24(12-8-22)33(25-13-9-23(30)10-14-25)18-4-17-32-19-15-28(16-20-32)27(35)31-21-34(28)26-5-2-1-3-6-26/h1-3,5-14H,4,15-21H2,(H,31,35)
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n/an/a 0.610n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.

J Med Chem 28: 606-12 (1985)


BindingDB Entry DOI: 10.7270/Q2TB193Z
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345056
PNG
(2-(6-(3-((dimethylamino)methyl)phenyl)-2-(4-fluoro...)
Show SMILES COc1cc(ccc1F)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C29H31FN4O3/c1-18(2)31-27(35)17-34-28(22-9-11-24(30)26(15-22)37-5)32-25-12-10-21(14-23(25)29(34)36)20-8-6-7-19(13-20)16-33(3)4/h6-15,18H,16-17H2,1-5H3,(H,31,35)
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MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)		BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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n/an/a 2n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345045
PNG
(CHEMBL1778950 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C32H36N4O3/c1-22(2)33-30(37)21-36-31(26-11-8-12-27(18-26)39-3)34-29-14-13-25(19-28(29)32(36)38)24-10-7-9-23(17-24)20-35-15-5-4-6-16-35/h7-14,17-19,22H,4-6,15-16,20-21H2,1-3H3,(H,33,37)
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MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338810
PNG
(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
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MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338798
PNG
(CHEMBL1684561 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NC(C)C
Show InChI InChI=1S/C27H34N4O5/c1-19(2)28-25(32)18-31-26(20-6-4-7-21(16-20)34-3)29-24-9-8-22(17-23(24)27(31)33)36-13-5-10-30-11-14-35-15-12-30/h4,6-9,16-17,19H,5,10-15,18H2,1-3H3,(H,28,32)
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n/an/a 4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(RAT)		BDBM50338811
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)
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n/an/a 4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338799
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O4/c1-18(2)28-24(32)17-31-25(19-5-3-6-20(27)15-19)29-23-8-7-21(16-22(23)26(31)33)35-12-4-9-30-10-13-34-14-11-30/h3,5-8,15-16,18H,4,9-14,17H2,1-2H3,(H,28,32)
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n/an/a 5n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338811
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)
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n/an/a 6n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338811
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)
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n/an/a 6n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345055
PNG
(2-(6-(5-((dimethylamino)methyl)-2-fluorophenyl)-2-...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cc(CN(C)C)ccc1F
Show InChI InChI=1S/C29H31FN4O3/c1-18(2)31-27(35)17-34-28(21-7-6-8-22(14-21)37-5)32-26-12-10-20(15-24(26)29(34)36)23-13-19(16-33(3)4)9-11-25(23)30/h6-15,18H,16-17H2,1-5H3,(H,31,35)
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n/an/a 7n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345048
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-ylme...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCCCC2)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C31H33ClN4O2/c1-21(2)33-29(37)20-36-30(25-10-7-11-26(32)17-25)34-28-13-12-24(18-27(28)31(36)38)23-9-6-8-22(16-23)19-35-14-4-3-5-15-35/h6-13,16-18,21H,3-5,14-15,19-20H2,1-2H3,(H,33,37)
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n/an/a 9n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345043
PNG
(2-(6-(3-((dimethylamino)methyl)phenyl)-2-(3-methox...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C29H32N4O3/c1-19(2)30-27(34)18-33-28(23-10-7-11-24(15-23)36-5)31-26-13-12-22(16-25(26)29(33)35)21-9-6-8-20(14-21)17-32(3)4/h6-16,19H,17-18H2,1-5H3,(H,30,34)
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n/an/a 9n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50225510
PNG
(CHEMBL156395)
Show SMILES COc1ccccc1N1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C26H29F2N3O/c1-32-26-6-3-2-5-25(26)30-19-17-29(18-20-30)15-4-16-31(23-11-7-21(27)8-12-23)24-13-9-22(28)10-14-24/h2-3,5-14H,4,15-20H2,1H3
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.

J Med Chem 28: 606-12 (1985)


BindingDB Entry DOI: 10.7270/Q2TB193Z
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338780
PNG
(CHEMBL1684408 | N-(cyclopropylmethyl)-2-(2-(3-meth...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C28H34N4O5/c1-35-22-5-2-4-21(16-22)27-30-25-9-8-23(37-13-3-10-31-11-14-36-15-12-31)17-24(25)28(34)32(27)19-26(33)29-18-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18-19H2,1H3,(H,29,33)
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n/an/a 15n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338808
PNG
(CHEMBL1684571 | N-cyclopropyl-2-(2-(3-methoxypheny...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC1CC1
Show InChI InChI=1S/C28H34N4O4/c1-35-22-8-5-7-20(17-22)27-30-25-12-11-23(36-16-6-15-31-13-3-2-4-14-31)18-24(25)28(34)32(27)19-26(33)29-21-9-10-21/h5,7-8,11-12,17-18,21H,2-4,6,9-10,13-16,19H2,1H3,(H,29,33)
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n/an/a 17n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345046
PNG
(2-(2-(3-chlorophenyl)-6-(3-((dimethylamino)methyl)...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN(C)C)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H29ClN4O2/c1-18(2)30-26(34)17-33-27(22-9-6-10-23(29)14-22)31-25-12-11-21(15-24(25)28(33)35)20-8-5-7-19(13-20)16-32(3)4/h5-15,18H,16-17H2,1-4H3,(H,30,34)
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n/an/a 19n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat frontal cortex

J Med Chem 28: 1811-7 (1985)


BindingDB Entry DOI: 10.7270/Q2KW5J7H
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338797
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NC1CC1
Show InChI InChI=1S/C26H29ClN4O4/c27-19-4-1-3-18(15-19)25-29-23-8-7-21(35-12-2-9-30-10-13-34-14-11-30)16-22(23)26(33)31(25)17-24(32)28-20-5-6-20/h1,3-4,7-8,15-16,20H,2,5-6,9-14,17H2,(H,28,32)
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n/an/a 26n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50600005
PNG
(CHEMBL5195268)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r|
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n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338781
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NCC1CC1
Show InChI InChI=1S/C27H31ClN4O4/c28-21-4-1-3-20(15-21)26-30-24-8-7-22(36-12-2-9-31-10-13-35-14-11-31)16-23(24)27(34)32(26)18-25(33)29-17-19-5-6-19/h1,3-4,7-8,15-16,19H,2,5-6,9-14,17-18H2,(H,29,33)
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n/an/a 30n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338796
PNG
(CHEMBL1684559 | N-cyclopropyl-2-(2-(3-methoxypheny...)
Show SMILES COc1cccc(c1)-c1nc2ccc(OCCCN3CCOCC3)cc2c(=O)n1CC(=O)NC1CC1
Show InChI InChI=1S/C27H32N4O5/c1-34-21-5-2-4-19(16-21)26-29-24-9-8-22(36-13-3-10-30-11-14-35-15-12-30)17-23(24)27(33)31(26)18-25(32)28-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18H2,1H3,(H,28,32)
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n/an/a 34n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345052
PNG
(2-(6-(6-((dimethylamino)methyl)pyridin-2-yl)-2-(3-...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN(C)C)n1
Show InChI InChI=1S/C28H31N5O3/c1-18(2)29-26(34)17-33-27(20-8-6-10-22(14-20)36-5)31-25-13-12-19(15-23(25)28(33)35)24-11-7-9-21(30-24)16-32(3)4/h6-15,18H,16-17H2,1-5H3,(H,29,34)
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n/an/a 37n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338794
PNG
(2-(2-(3-methoxyphenyl)-6-(3-morpholinopropoxy)-4-o...)
Show SMILES CCCNC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C27H34N4O5/c1-3-10-28-25(32)19-31-26(20-6-4-7-21(17-20)34-2)29-24-9-8-22(18-23(24)27(31)33)36-14-5-11-30-12-15-35-16-13-30/h4,6-9,17-18H,3,5,10-16,19H2,1-2H3,(H,28,32)
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n/an/a 42n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 45n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345044
PNG
(2-(6-(3-(azetidin-1-ylmethyl)phenyl)-2-(3-methoxyp...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cccc(CN2CCC2)c1
Show InChI InChI=1S/C30H32N4O3/c1-20(2)31-28(35)19-34-29(24-9-5-10-25(16-24)37-3)32-27-12-11-23(17-26(27)30(34)36)22-8-4-7-21(15-22)18-33-13-6-14-33/h4-5,7-12,15-17,20H,6,13-14,18-19H2,1-3H3,(H,31,35)
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n/an/a 46n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338809
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC1CC1
Show InChI InChI=1S/C27H31ClN4O3/c28-20-7-4-6-19(16-20)26-30-24-11-10-22(35-15-5-14-31-12-2-1-3-13-31)17-23(24)27(34)32(26)18-25(33)29-21-8-9-21/h4,6-7,10-11,16-17,21H,1-3,5,8-9,12-15,18H2,(H,29,33)
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n/an/a 46n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor

J Med Chem 28: 1811-7 (1985)


BindingDB Entry DOI: 10.7270/Q2KW5J7H
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338807
PNG
(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Show SMILES CCCNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O3/c1-2-12-29-25(33)19-32-26(20-8-6-9-21(28)17-20)30-24-11-10-22(18-23(24)27(32)34)35-16-7-15-31-13-4-3-5-14-31/h6,8-11,17-18H,2-5,7,12-16,19H2,1H3,(H,29,33)
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n/an/a 49n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345050
PNG
(2-(6-(4-((dimethylamino)methyl)pyridin-2-yl)-2-(3-...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cc(CN(C)C)ccn1
Show InChI InChI=1S/C28H31N5O3/c1-18(2)30-26(34)17-33-27(21-7-6-8-22(14-21)36-5)31-24-10-9-20(15-23(24)28(33)35)25-13-19(11-12-29-25)16-32(3)4/h6-15,18H,16-17H2,1-5H3,(H,30,34)
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n/an/a 52n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor

J Med Chem 28: 1811-7 (1985)


BindingDB Entry DOI: 10.7270/Q2KW5J7H
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50600003
PNG
(CHEMBL5201228)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
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n/an/a 55n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338795
PNG
(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Show SMILES CCCNC(=O)Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O4/c1-2-9-28-24(32)18-31-25(19-5-3-6-20(27)16-19)29-23-8-7-21(17-22(23)26(31)33)35-13-4-10-30-11-14-34-15-12-30/h3,5-8,16-17H,2,4,9-15,18H2,1H3,(H,28,32)
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n/an/a 59n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345047
PNG
(2-(6-(3-(azetidin-1-ylmethyl)phenyl)-2-(3-chloroph...)
Show SMILES CC(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCC2)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H29ClN4O2/c1-19(2)31-27(35)18-34-28(23-8-4-9-24(30)15-23)32-26-11-10-22(16-25(26)29(34)36)21-7-3-6-20(14-21)17-33-12-5-13-33/h3-4,6-11,14-16,19H,5,12-13,17-18H2,1-2H3,(H,31,35)
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n/an/a 60n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50050549
PNG
(GSK2140944 | Gepotidacin)
Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r|
Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1
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n/an/a 60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345060
PNG
(CHEMBL1777825 | N-(cyclopropylmethyl)-2-(4-oxo-2-p...)
Show SMILES O=C(Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCCCC2)c1)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C32H34N4O2/c37-30(33-20-23-12-13-23)22-36-31(25-9-3-1-4-10-25)34-29-15-14-27(19-28(29)32(36)38)26-11-7-8-24(18-26)21-35-16-5-2-6-17-35/h1,3-4,7-11,14-15,18-19,23H,2,5-6,12-13,16-17,20-22H2,(H,33,37)
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n/an/a 60n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]haloperidol binding to dopamine receptor in rat striatal homogenate

J Med Chem 28: 1811-7 (1985)


BindingDB Entry DOI: 10.7270/Q2KW5J7H
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 61n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.

J Med Chem 28: 606-12 (1985)


BindingDB Entry DOI: 10.7270/Q2TB193Z
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50338806
PNG
(2-(2-(3-methoxyphenyl)-4-oxo-6-(3-(piperidin-1-yl)...)
Show SMILES CCCNC(=O)Cn1c(nc2ccc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(OC)c1
Show InChI InChI=1S/C28H36N4O4/c1-3-13-29-26(33)20-32-27(21-9-7-10-22(18-21)35-2)30-25-12-11-23(19-24(25)28(32)34)36-17-8-16-31-14-5-4-6-15-31/h7,9-12,18-19H,3-6,8,13-17,20H2,1-2H3,(H,29,33)
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n/an/a 72n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assay

Bioorg Med Chem Lett 21: 1871-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.081
BindingDB Entry DOI: 10.7270/Q2BR8SG4
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345051
PNG
(2-(6-(5-((dimethylamino)methyl)pyridin-3-yl)-2-(3-...)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2c(=O)n1CC(=O)NC(C)C)-c1cncc(CN(C)C)c1
Show InChI InChI=1S/C28H31N5O3/c1-18(2)30-26(34)17-33-27(21-7-6-8-23(12-21)36-5)31-25-10-9-20(13-24(25)28(33)35)22-11-19(14-29-15-22)16-32(3)4/h6-15,18H,16-17H2,1-5H3,(H,30,34)
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n/an/a 77n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50345059
PNG
(CHEMBL1778932 | N-(cyclopropylmethyl)-2-(6-(3-(mor...)
Show SMILES O=C(Cn1c(nc2ccc(cc2c1=O)-c1cccc(CN2CCOCC2)c1)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C31H32N4O3/c36-29(32-19-22-9-10-22)21-35-30(24-6-2-1-3-7-24)33-28-12-11-26(18-27(28)31(35)37)25-8-4-5-23(17-25)20-34-13-15-38-16-14-34/h1-8,11-12,17-18,22H,9-10,13-16,19-21H2,(H,32,36)
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n/an/a 79n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...

Bioorg Med Chem Lett 21: 3813-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.022
BindingDB Entry DOI: 10.7270/Q2CV4J34
More data for this
Ligand-Target Pair
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