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Compile Data Set for Download or QSAR

Found 1302 hits with Last Name = 'demarest' and Initial = 'kt'   
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 V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146284
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-((S)-3,4,11...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2COCCN2Cc2ccccc12
Show InChI InChI=1S/C32H28ClN3O3/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146293
PNG
(5-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES Oc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)26-13-11-25(37)17-28(26)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146309
PNG
(5-Fluoro-biphenyl-2-carboxylic acid [3-chloro-4-((...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H27ClFN3O3/c33-29-17-24(35-31(38)26-12-10-23(34)16-28(26)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)/t25-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146309
PNG
(5-Fluoro-biphenyl-2-carboxylic acid [3-chloro-4-((...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H27ClFN3O3/c33-29-17-24(35-31(38)26-12-10-23(34)16-28(26)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)/t25-/m0/s1
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2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146304
PNG
(3'-Methoxy-biphenyl-2-carboxylic acid [3-chloro-4-...)
Show SMILES COc1cccc(c1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C33H30ClN3O4/c1-40-26-9-6-8-22(17-26)27-10-3-4-11-28(27)32(38)35-24-13-14-29(30(34)18-24)33(39)37-20-25-21-41-16-15-36(25)19-23-7-2-5-12-31(23)37/h2-14,17-18,25H,15-16,19-21H2,1H3,(H,35,38)/t25-/m0/s1
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2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50065115
PNG
(3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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2.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146302
PNG
(CHEMBL328079 | N-[3-Chloro-4-((S)-3,4,11,11a-tetra...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O3/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)/t21-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146283
PNG
(4'-Methoxy-biphenyl-2-carboxylic acid [3-chloro-4-...)
Show SMILES COc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C33H30ClN3O4/c1-40-26-13-10-22(11-14-26)27-7-3-4-8-28(27)32(38)35-24-12-15-29(30(34)18-24)33(39)37-20-25-21-41-17-16-36(25)19-23-6-2-5-9-31(23)37/h2-15,18,25H,16-17,19-21H2,1H3,(H,35,38)/t25-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146283
PNG
(4'-Methoxy-biphenyl-2-carboxylic acid [3-chloro-4-...)
Show SMILES COc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C33H30ClN3O4/c1-40-26-13-10-22(11-14-26)27-7-3-4-8-28(27)32(38)35-24-12-15-29(30(34)18-24)33(39)37-20-25-21-41-17-16-36(25)19-23-6-2-5-9-31(23)37/h2-15,18,25H,16-17,19-21H2,1H3,(H,35,38)/t25-/m0/s1
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3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146291
PNG
(Biphenyl-2-carboxylic acid [3-hydroxy-4-(3,4,11,11...)
Show SMILES Oc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Show InChI InChI=1S/C32H29N3O3S/c36-30-18-24(33-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(30)32(38)35-20-25-21-39-17-16-34(25)19-23-10-4-7-13-29(23)35/h1-15,18,25,36H,16-17,19-21H2,(H,33,37)
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3.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146285
PNG
(Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146303
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-((S)-3,4,11...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2CSCCN2Cc2ccccc12
Show InChI InChI=1S/C32H28ClN3O2S/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146297
PNG
(5-Fluoro-biphenyl-2-carboxylic acid [3-chloro-4-(3...)
Show SMILES Fc1ccc(C(=O)Nc2ccc(C(=O)N3CC4CSCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H27ClFN3O2S/c33-29-17-24(35-31(38)26-12-10-23(34)16-28(26)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)
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3.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146304
PNG
(3'-Methoxy-biphenyl-2-carboxylic acid [3-chloro-4-...)
Show SMILES COc1cccc(c1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C33H30ClN3O4/c1-40-26-9-6-8-22(17-26)27-10-3-4-11-28(27)32(38)35-24-13-14-29(30(34)18-24)33(39)37-20-25-21-41-16-15-36(25)19-23-7-2-5-12-31(23)37/h2-14,17-18,25H,15-16,19-21H2,1H3,(H,35,38)/t25-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146310
PNG
(Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2COCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O3/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM20877
PNG
(3-(1-benzofuran-5-yl)-1-(2-hydroxy-4-methyl-6-{[(2...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H26O9/c1-12-8-16(27)20(15(26)4-2-13-3-5-17-14(10-13)6-7-31-17)18(9-12)32-24-23(30)22(29)21(28)19(11-25)33-24/h3,5-10,19,21-25,27-30H,2,4,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of Na-dependent [14C]-AMG uptake in CHO-K1 cells expressing human sodium glucose co-transporter 2


Bioorg Med Chem Lett 14: 5121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.082
BindingDB Entry DOI: 10.7270/Q2VD6XX2
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146284
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-((S)-3,4,11...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2COCCN2Cc2ccccc12
Show InChI InChI=1S/C32H28ClN3O3/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1
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4n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146296
PNG
(5-Methoxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C33H30ClN3O4/c1-40-26-12-14-27(29(18-26)22-7-3-2-4-8-22)32(38)35-24-11-13-28(30(34)17-24)33(39)37-20-25-21-41-16-15-36(25)19-23-9-5-6-10-31(23)37/h2-14,17-18,25H,15-16,19-21H2,1H3,(H,35,38)/t25-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146301
PNG
(4'-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-...)
Show SMILES Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-17-23(34-31(38)27-7-3-2-6-26(27)21-9-12-25(37)13-10-21)11-14-28(29)32(39)36-19-24-20-40-16-15-35(24)18-22-5-1-4-8-30(22)36/h1-14,17,24,37H,15-16,18-20H2,(H,34,38)/t24-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146296
PNG
(5-Methoxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C33H30ClN3O4/c1-40-26-12-14-27(29(18-26)22-7-3-2-4-8-22)32(38)35-24-11-13-28(30(34)17-24)33(39)37-20-25-21-41-16-15-36(25)19-23-9-5-6-10-31(23)37/h2-14,17-18,25H,15-16,19-21H2,1H3,(H,35,38)/t25-/m0/s1
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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146292
PNG
(Biphenyl-2-carboxylic acid [4-(3,4,11,11a-tetrahyd...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CC2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)
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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146287
PNG
(3'-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-...)
Show SMILES Oc1cccc(c1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-17-23(34-31(38)27-10-3-2-9-26(27)21-7-5-8-25(37)16-21)12-13-28(29)32(39)36-19-24-20-40-15-14-35(24)18-22-6-1-4-11-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146293
PNG
(5-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES Oc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc34)c(Cl)c2)c(c1)-c1ccccc1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)26-13-11-25(37)17-28(26)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
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6n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146305
PNG
(Biphenyl-2-carboxylic acid [4-(8-methyl-3,4,11,11a...)
Show SMILES Cc1ccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1
Show InChI InChI=1S/C33H31N3O2S/c1-23-11-12-26-20-35-17-18-39-22-28(35)21-36(31(26)19-23)33(38)25-13-15-27(16-14-25)34-32(37)30-10-6-5-9-29(30)24-7-3-2-4-8-24/h2-16,19,28H,17-18,20-22H2,1H3,(H,34,37)
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8n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50153302
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1-[2-hydroxy...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3OCCOc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C24H28O10/c1-12-8-15(27)20(14(26)4-2-13-3-5-16-17(10-13)32-7-6-31-16)18(9-12)33-24-23(30)22(29)21(28)19(11-25)34-24/h3,5,8-10,19,21-25,27-30H,2,4,6-7,11H2,1H3/t19-,21-,22+,23-,24-/m1/s1
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9n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of Na-dependent [14C]-AMG uptake in CHO-K1 cells expressing human sodium glucose co-transporter 2


Bioorg Med Chem Lett 14: 5121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.082
BindingDB Entry DOI: 10.7270/Q2VD6XX2
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50119815
PNG
(3-chloro-4-[16-methyl-(12S)-2,10-diazatetracyclo[1...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2ccccc12
Show InChI InChI=1S/C34H30ClN3O2/c35-30-19-25(36-33(39)28-12-6-5-11-27(28)22-8-2-1-3-9-22)15-17-29(30)34(40)38-21-32-23-14-16-26(18-23)37(32)20-24-10-4-7-13-31(24)38/h1-13,15,17,19,23,26,32H,14,16,18,20-21H2,(H,36,39)/t23?,26?,32-/m1/s1
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9n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00649-2
BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50119813
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12
Show InChI InChI=1S/C29H25ClF3N3O2/c30-20-8-12-25-19(13-20)15-35-22-11-7-18(14-22)26(35)16-36(25)28(38)17-5-9-21(10-6-17)34-27(37)23-3-1-2-4-24(23)29(31,32)33/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,34,37)/t18?,22?,26-/m1/s1
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9n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Arg-vasopressin binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 12: 3081-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00649-2
BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146295
PNG
(Biphenyl-2-carboxylic acid [4-(8-fluoro-3,4,11,11a...)
Show SMILES Fc1ccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1
Show InChI InChI=1S/C32H28FN3O2S/c33-25-13-10-24-19-35-16-17-39-21-27(35)20-36(30(24)18-25)32(38)23-11-14-26(15-12-23)34-31(37)29-9-5-4-8-28(29)22-6-2-1-3-7-22/h1-15,18,27H,16-17,19-21H2,(H,34,37)
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9n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50153301
PNG
(3-(4-Ethoxy-phenyl)-1-[2-hydroxy-4-methyl-6-(3,4,5...)
Show SMILES CCOc1ccc(CCC(=O)c2c(O)cc(C)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C24H30O9/c1-3-31-15-7-4-14(5-8-15)6-9-16(26)20-17(27)10-13(2)11-18(20)32-24-23(30)22(29)21(28)19(12-25)33-24/h4-5,7-8,10-11,19,21-25,27-30H,3,6,9,12H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of Na-dependent [14C]-AMG uptake in CHO-K1 cells expressing human sodium glucose co-transporter 2


Bioorg Med Chem Lett 14: 5121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.082
BindingDB Entry DOI: 10.7270/Q2VD6XX2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146307
PNG
(Biphenyl-2-carboxylic acid [4-(9-chloro-3,4,11,11a...)
Show SMILES Clc1cccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c12
Show InChI InChI=1S/C32H28ClN3O2S/c33-29-12-6-9-24-19-35-17-18-39-21-26(35)20-36(30(24)29)32(38)23-13-15-25(16-14-23)34-31(37)28-11-5-4-10-27(28)22-7-2-1-3-8-22/h1-16,26H,17-21H2,(H,34,37)
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146312
PNG
(Biphenyl-2-carboxylic acid [3-fluoro-4-(3,4,11,11a...)
Show SMILES Fc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Show InChI InChI=1S/C32H28FN3O2S/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146294
PNG
(Biphenyl-2-carboxylic acid [3-methyl-4-(3,4,11,11a...)
Show SMILES Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Show InChI InChI=1S/C33H31N3O2S/c1-23-19-26(34-32(37)30-13-7-6-12-29(30)24-9-3-2-4-10-24)15-16-28(23)33(38)36-21-27-22-39-18-17-35(27)20-25-11-5-8-14-31(25)36/h2-16,19,27H,17-18,20-22H2,1H3,(H,34,37)
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10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50153305
PNG
(1-[4-Ethyl-2-hydroxy-6-(3,4,5-trihydroxy-6-hydroxy...)
Show SMILES CCc1cc(O)c(C(=O)CCc2ccc3ccccc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C27H30O8/c1-2-15-12-20(30)23(19(29)10-8-16-7-9-17-5-3-4-6-18(17)11-16)21(13-15)34-27-26(33)25(32)24(31)22(14-28)35-27/h3-7,9,11-13,22,24-28,30-33H,2,8,10,14H2,1H3/t22-,24-,25+,26-,27-/m1/s1
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of Na-dependent [14C]-AMG uptake in CHO-K1 cells expressing human sodium glucose co-transporter 2


Bioorg Med Chem Lett 14: 5121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.082
BindingDB Entry DOI: 10.7270/Q2VD6XX2
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50153312
PNG
(1-[2-Hydroxy-4-methyl-6-(3,4,5-trihydroxy-6-hydrox...)
Show SMILES Cc1cc(O)c(C(=O)CCc2ccc3ccccc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C26H28O8/c1-14-10-19(29)22(18(28)9-7-15-6-8-16-4-2-3-5-17(16)12-15)20(11-14)33-26-25(32)24(31)23(30)21(13-27)34-26/h2-6,8,10-12,21,23-27,29-32H,7,9,13H2,1H3/t21-,23-,24+,25-,26-/m1/s1
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of Na-dependent [14C]-AMG uptake in CHO-K1 cells expressing human sodium glucose co-transporter 2


Bioorg Med Chem Lett 14: 5121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.082
BindingDB Entry DOI: 10.7270/Q2VD6XX2
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50153298
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-1-[4-ethyl-2...)
Show SMILES CCc1cc(O)c(C(=O)CCc2ccc3OCCOc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Show InChI InChI=1S/C25H30O10/c1-2-13-9-16(28)21(15(27)5-3-14-4-6-17-18(11-14)33-8-7-32-17)19(10-13)34-25-24(31)23(30)22(29)20(12-26)35-25/h4,6,9-11,20,22-26,28-31H,2-3,5,7-8,12H2,1H3/t20-,22-,23+,24-,25-/m1/s1
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10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of Na-dependent [14C]-AMG uptake in CHO-K1 cells expressing human sodium glucose co-transporter 2


Bioorg Med Chem Lett 14: 5121-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.082
BindingDB Entry DOI: 10.7270/Q2VD6XX2
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146311
PNG
(4-Fluoro-biphenyl-2-carboxylic acid [3-chloro-4-((...)
Show SMILES Fc1ccc(-c2ccccc2)c(c1)C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H27ClFN3O3/c33-29-17-24(35-31(38)28-16-23(34)10-12-26(28)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)/t25-/m0/s1
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146301
PNG
(4'-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-...)
Show SMILES Oc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-17-23(34-31(38)27-7-3-2-6-26(27)21-9-12-25(37)13-10-21)11-14-28(29)32(39)36-19-24-20-40-16-15-35(24)18-22-5-1-4-8-30(22)36/h1-14,17,24,37H,15-16,18-20H2,(H,34,38)/t24-/m0/s1
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146288
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(3,4,11,11a...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Show InChI InChI=1S/C32H28ClN3O2S/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)
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11n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50162995
PNG
(3-[1-(1,2-Dihydro-pyridin-2-yl)-1H-indazol-3-yl]-4...)
Show SMILES O=C1NC(=O)C(=C1c1cn(-c2ccc3ccccc3c2)c2ccccc12)c1nn(CCCN2CCCC2)c2ccccc12
Show InChI InChI=1S/C36H31N5O2/c42-35-32(29-23-40(30-14-5-3-12-27(29)30)26-17-16-24-10-1-2-11-25(24)22-26)33(36(43)37-35)34-28-13-4-6-15-31(28)41(38-34)21-9-20-39-18-7-8-19-39/h1-6,10-17,22-23H,7-9,18-21H2,(H,37,42,43)
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11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Potassium channel HERG


J Med Chem 48: 1725-8 (2005)


Article DOI: 10.1021/jm049478u
BindingDB Entry DOI: 10.7270/Q2765DVX
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146311
PNG
(4-Fluoro-biphenyl-2-carboxylic acid [3-chloro-4-((...)
Show SMILES Fc1ccc(-c2ccccc2)c(c1)C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H27ClFN3O3/c33-29-17-24(35-31(38)28-16-23(34)10-12-26(28)21-6-2-1-3-7-21)11-13-27(29)32(39)37-19-25-20-40-15-14-36(25)18-22-8-4-5-9-30(22)37/h1-13,16-17,25H,14-15,18-20H2,(H,35,38)/t25-/m0/s1
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12n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146302
PNG
(CHEMBL328079 | N-[3-Chloro-4-((S)-3,4,11,11a-tetra...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O3/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)/t21-/m0/s1
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12n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146289
PNG
(4-Hydroxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES Oc1ccc(-c2ccccc2)c(c1)C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H28ClN3O4/c33-29-16-23(34-31(38)28-17-25(37)11-13-26(28)21-6-2-1-3-7-21)10-12-27(29)32(39)36-19-24-20-40-15-14-35(24)18-22-8-4-5-9-30(22)36/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)/t24-/m0/s1
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13n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50119807
PNG
(1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyc...)
Show SMILES Cc1ccc(cc1)-c1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12
Show InChI InChI=1S/C35H32ClN3O2/c1-22-6-8-23(9-7-22)30-4-2-3-5-31(30)34(40)37-28-14-10-24(11-15-28)35(41)39-21-33-25-12-16-29(19-25)38(33)20-26-18-27(36)13-17-32(26)39/h2-11,13-15,17-18,25,29,33H,12,16,19-21H2,1H3,(H,37,40)/t25?,29?,33-/m1/s1
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13n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of AVP mediated activation of human vasopressin V2 receptor expressed in HEK-293 cells


Bioorg Med Chem Lett 12: 3081-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00649-2
BindingDB Entry DOI: 10.7270/Q22N51NM
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146308
PNG
(Biphenyl-2-carboxylic acid [3-methoxy-4-(3,4,11,11...)
Show SMILES COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc12
Show InChI InChI=1S/C33H31N3O3S/c1-39-31-19-25(34-32(37)28-13-7-6-12-27(28)23-9-3-2-4-10-23)15-16-29(31)33(38)36-21-26-22-40-18-17-35(26)20-24-11-5-8-14-30(24)36/h2-16,19,26H,17-18,20-22H2,1H3,(H,34,37)
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50404244
PNG
(CHEMBL2093899)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@@H]2COCCN2Cc2ccccc12
Show InChI InChI=1S/C32H28ClN3O3/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m1/s1
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146285
PNG
(Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146310
PNG
(Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2COCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O3/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
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16n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin receptor


(Homo sapiens (Human))
BDBM50146303
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-((S)-3,4,11...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1C[C@H]2CSCCN2Cc2ccccc12
Show InChI InChI=1S/C32H28ClN3O2S/c33-29-18-24(34-31(37)27-12-6-5-11-26(27)22-8-2-1-3-9-22)14-15-28(29)32(38)36-20-25-21-39-17-16-35(25)19-23-10-4-7-13-30(23)36/h1-15,18,25H,16-17,19-21H2,(H,34,37)/t25-/m0/s1
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17n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146306
PNG
(4-Methoxy-biphenyl-2-carboxylic acid [3-chloro-4-(...)
Show SMILES COc1ccc(-c2ccccc2)c(c1)C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C33H30ClN3O4/c1-40-26-12-14-27(22-7-3-2-4-8-22)29(18-26)32(38)35-24-11-13-28(30(34)17-24)33(39)37-20-25-21-41-16-15-36(25)19-23-9-5-6-10-31(23)37/h2-14,17-18,25H,15-16,19-21H2,1H3,(H,35,38)/t25-/m0/s1
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17n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50146298
PNG
(Biphenyl-2-carboxylic acid [4-(8,9-difluoro-3,4,11...)
Show SMILES Fc1ccc2CN3CCSCC3CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c2c1F
Show InChI InChI=1S/C32H27F2N3O2S/c33-28-15-12-23-18-36-16-17-40-20-25(36)19-37(30(23)29(28)34)32(39)22-10-13-24(14-11-22)35-31(38)27-9-5-4-8-26(27)21-6-2-1-3-7-21/h1-15,25H,16-20H2,(H,35,38)
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18n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptor


Bioorg Med Chem Lett 14: 2747-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.083
BindingDB Entry DOI: 10.7270/Q2QN679W
More data for this
Ligand-Target Pair
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