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Compile Data Set for Download or QSAR

Found 589 hits with Last Name = 'isoshima' and Initial = 'h'   
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 receptor


(Rattus norvegicus (Rat))
BDBM50137948
PNG
(Biphenyl-2-carboxylic acid [2-[3-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-19-9-20-40(24-23-39)21-10-25-44-34-27-29(37(43)41-22-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a<1n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]AVP as radioligand in rat adrenal medulla


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50137945
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50137956
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)
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n/an/a 1n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137948
PNG
(Biphenyl-2-carboxylic acid [2-[3-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-19-9-20-40(24-23-39)21-10-25-44-34-27-29(37(43)41-22-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50137948
PNG
(Biphenyl-2-carboxylic acid [2-[3-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-19-9-20-40(24-23-39)21-10-25-44-34-27-29(37(43)41-22-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a 2n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50137948
PNG
(Biphenyl-2-carboxylic acid [2-[3-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-19-9-20-40(24-23-39)21-10-25-44-34-27-29(37(43)41-22-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a 2n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50137945
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50137949
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-[1,4]di...)
Show SMILES CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C38H42N4O4S/c1-40-20-10-21-41(24-23-40)36(43)16-9-25-46-34-27-29(38(45)42-22-8-7-15-35-33(42)19-26-47-35)17-18-32(34)39-37(44)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,17-19,26-27H,7-10,15-16,20-25H2,1H3,(H,39,44)
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50137940
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137940
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272201
PNG
(US10065950, Example 42)
Show SMILES COCC1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H22F2N4O4S/c1-11(2)28-14(10-32-3)8-27-9-15(19(29)20(30)18(27)22(28)31)21-26-25-17(33-21)6-12-4-5-13(23)7-16(12)24/h4-5,7,9,11,14,30H,6,8,10H2,1-3H3
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US Patent
n/an/a 3.40n/an/an/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137953
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-diethylamino-p...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C41H48N4O4S/c1-3-43(4-2)32-21-25-44(26-22-32)39(46)18-12-27-49-37-29-31(41(48)45-24-11-10-17-38-36(45)23-28-50-38)19-20-35(37)42-40(47)34-16-9-8-15-33(34)30-13-6-5-7-14-30/h5-9,13-16,19-20,23,28-29,32H,3-4,10-12,17-18,21-22,24-27H2,1-2H3,(H,42,47)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50137946
PNG
(Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50137953
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-diethylamino-p...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C41H48N4O4S/c1-3-43(4-2)32-21-25-44(26-22-32)39(46)18-12-27-49-37-29-31(41(48)45-24-11-10-17-38-36(45)23-28-50-38)19-20-35(37)42-40(47)34-16-9-8-15-33(34)30-13-6-5-7-14-30/h5-9,13-16,19-20,23,28-29,32H,3-4,10-12,17-18,21-22,24-27H2,1-2H3,(H,42,47)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272314
PNG
(US10065950, Example 156)
Show SMILES CC(C)N1[C@H](C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20F2N4O3S/c1-10(2)27-11(3)8-26-9-14(18(28)19(29)17(26)21(27)30)20-25-24-16(31-20)6-12-4-5-13(22)7-15(12)23/h4-5,7,9-11,29H,6,8H2,1-3H3/t11-/m1/s1
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n/an/a 4.60n/an/an/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272202
PNG
(US10065950, Example 43)
Show SMILES COCC1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1CC(C)C
Show InChI InChI=1S/C23H24F2N4O4S/c1-12(2)8-29-15(11-33-3)9-28-10-16(20(30)21(31)19(28)23(29)32)22-27-26-18(34-22)6-13-4-5-14(24)7-17(13)25/h4-5,7,10,12,15,31H,6,8-9,11H2,1-3H3
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n/an/a 4.60n/an/an/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272497
PNG
(US10065950, Example 359)
Show SMILES CC(C)N1C[C@H](Cn2cnnn2)n2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H21FN8O3S/c1-12(2)30-9-15(8-29-11-24-27-28-29)31-10-16(19(32)20(33)18(31)22(30)34)21-26-25-17(35-21)7-13-3-5-14(23)6-4-13/h3-6,10-12,15,33H,7-9H2,1-2H3/t15-/m0/s1
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n/an/a 4.80n/an/an/an/an/a25



Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272241
PNG
(US10065950, Example 82)
Show SMILES CC(C)N1C(CC#N)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H19F2N5O3S/c1-11(2)29-14(5-6-25)9-28-10-15(19(30)20(31)18(28)22(29)32)21-27-26-17(33-21)7-12-3-4-13(23)8-16(12)24/h3-4,8,10-11,14,31H,5,7,9H2,1-2H3
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137945
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1
Show InChI InChI=1S/C37H42N4O3S/c1-39-21-23-40(24-22-39)19-9-10-25-44-34-27-29(37(43)41-20-8-7-15-35-33(41)18-26-45-35)16-17-32(34)38-36(42)31-14-6-5-13-30(31)28-11-3-2-4-12-28/h2-6,11-14,16-18,26-27H,7-10,15,19-25H2,1H3,(H,38,42)
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n/an/a 5n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(Homo sapiens (Human))
BDBM50137951
PNG
(Biphenyl-2-carboxylic acid [2-{4-[(2-dimethylamino...)
Show SMILES CN(C)CCN(C)CCCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H44N4O3S/c1-39(2)23-24-40(3)21-11-12-25-44-34-27-29(37(43)41-22-10-9-17-35-33(41)20-26-45-35)18-19-32(34)38-36(42)31-16-8-7-15-30(31)28-13-5-4-6-14-28/h4-8,13-16,18-20,26-27H,9-12,17,21-25H2,1-3H3,(H,38,42)
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n/an/a 5n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in human platelet


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272208
PNG
(US10065950, Example 49)
Show SMILES CC(C)N1CC(CC#N)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)28-10-15(5-6-26)29-11-17(20(30)21(31)19(29)23(28)32)22-27-9-16(33-22)7-13-3-4-14(24)8-18(13)25/h3-4,8-9,11-12,15,31H,5,7,10H2,1-2H3
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Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272373
PNG
(US10065950, Example 217)
Show SMILES COC[C@@H]1Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC1CC1
Show InChI InChI=1S/C24H24FN3O4S/c1-32-13-17-11-27-12-19(21(29)22(30)20(27)24(31)28(17)10-15-2-3-15)23-26-9-18(33-23)8-14-4-6-16(25)7-5-14/h4-7,9,12,15,17,30H,2-3,8,10-11,13H2,1H3/t17-/m0/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272309
PNG
(US10065950, Example 151)
Show SMILES CC(C)N1CC(CC(C)=O)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C24H23F2N3O4S/c1-12(2)28-10-16(6-13(3)30)29-11-18(21(31)22(32)20(29)24(28)33)23-27-9-17(34-23)7-14-4-5-15(25)8-19(14)26/h4-5,8-9,11-12,16,32H,6-7,10H2,1-3H3
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272316
PNG
(US10065950, Example 158)
Show SMILES CC(C)N1[C@H](CNS(C)(=O)=O)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N5O5S2/c1-11(2)29-14(8-25-36(3,33)34)9-28-10-15(19(30)20(31)18(28)22(29)32)21-27-26-17(35-21)6-12-4-5-13(23)7-16(12)24/h4-5,7,10-11,14,25,31H,6,8-9H2,1-3H3/t14-/m1/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272303
PNG
(US10065950, Example 145 | US10065950, Example 146)
Show SMILES CCC(C)N1[C@H](COC)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H24F2N4O4S/c1-4-12(2)29-15(11-33-3)9-28-10-16(20(30)21(31)19(28)23(29)32)22-27-26-18(34-22)7-13-5-6-14(24)8-17(13)25/h5-6,8,10,12,15,31H,4,7,9,11H2,1-3H3/t12?,15-/m0/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272165
PNG
(US10065950, Example 6)
Show SMILES CC(C)N1[C@H](C)Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21FN4O3S/c1-11(2)26-12(3)9-25-10-15(18(27)19(28)17(25)21(26)29)20-24-23-16(30-20)8-13-4-6-14(22)7-5-13/h4-7,10-12,28H,8-9H2,1-3H3/t12-/m1/s1
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Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272210
PNG
(US10065950, Example 51)
Show SMILES CNC(=O)C1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H21F2N5O4S/c1-10(2)29-15(20(32)25-3)9-28-8-13(18(30)19(31)17(28)22(29)33)21-27-26-16(34-21)6-11-4-5-12(23)7-14(11)24/h4-5,7-8,10,15,31H,6,9H2,1-3H3,(H,25,32)
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Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272233
PNG
(US10065950, Example 74)
Show SMILES CC(C)N1C(CC(O)=O)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H20F2N4O5S/c1-10(2)28-13(7-17(29)30)8-27-9-14(19(31)20(32)18(27)22(28)33)21-26-25-16(34-21)5-11-3-4-12(23)6-15(11)24/h3-4,6,9-10,13,32H,5,7-8H2,1-2H3,(H,29,30)
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Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272356
PNG
(US10065950, Example 198 | US10065950, Example 206)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1C(C)C1CC1
Show InChI InChI=1S/C24H25FN4O4S/c1-13(15-5-6-15)29-17(12-33-2)10-28-11-18(21(30)22(31)20(28)24(29)32)23-27-26-19(34-23)9-14-3-7-16(25)8-4-14/h3-4,7-8,11,13,15,17,31H,5-6,9-10,12H2,1-2H3/t13?,17-/m0/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272475
PNG
(US10065950, Example 319)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2CC1(COC)COC)-c1nnc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C23H24F2N4O5S/c1-4-29-22(32)18-20(31)19(30)15(9-28(18)10-23(29,11-33-2)12-34-3)21-27-26-17(35-21)7-13-5-6-14(24)8-16(13)25/h5-6,8-9,31H,4,7,10-12H2,1-3H3
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Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272326
PNG
(US10065950, Example 168)
Show SMILES COC[C@@H]1Cn2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C23H23F2N3O4S/c1-12(2)28-15(11-32-3)9-27-10-17(20(29)21(30)19(27)23(28)31)22-26-8-16(33-22)6-13-4-5-14(24)7-18(13)25/h4-5,7-8,10,12,15,30H,6,9,11H2,1-3H3/t15-/m0/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272311
PNG
(US10065950, Example 153)
Show SMILES CCNC(=O)C1(C)CN(C)C(=O)c2c(O)c(=O)c(cn12)-c1ncc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C23H22F2N4O4S/c1-4-26-22(33)23(2)11-28(3)21(32)17-19(31)18(30)15(10-29(17)23)20-27-9-14(34-20)7-12-5-6-13(24)8-16(12)25/h5-6,8-10,31H,4,7,11H2,1-3H3,(H,26,33)
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272459
PNG
(US10065950, Example 303)
Show SMILES CC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC1CC1
Show InChI InChI=1S/C23H23FN4O3S/c1-2-16-11-27-12-17(20(29)21(30)19(27)23(31)28(16)10-14-3-4-14)22-26-25-18(32-22)9-13-5-7-15(24)8-6-13/h5-8,12,14,16,30H,2-4,9-11H2,1H3/t16-/m1/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272298
PNG
(US10065950, Example 140)
Show SMILES CC(C)N1[C@@H](CNC(C)=O)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23F2N5O4S/c1-11(2)30-15(8-26-12(3)31)9-29-10-16(20(32)21(33)19(29)23(30)34)22-28-27-18(35-22)6-13-4-5-14(24)7-17(13)25/h4-5,7,10-11,15,33H,6,8-9H2,1-3H3,(H,26,31)/t15-/m0/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272187
PNG
(US10065950, Example 152 | US10065950, Example 28)
Show SMILES CC(C)N1CC(C)(C(=O)N(C)C)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C25H26F2N4O4S/c1-13(2)30-12-25(3,24(35)29(4)5)31-11-17(20(32)21(33)19(31)23(30)34)22-28-10-16(36-22)8-14-6-7-15(26)9-18(14)27/h6-7,9-11,13,33H,8,12H2,1-5H3
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272303
PNG
(US10065950, Example 145 | US10065950, Example 146)
Show SMILES CCC(C)N1[C@H](COC)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H24F2N4O4S/c1-4-12(2)29-15(11-33-3)9-28-10-16(20(30)21(31)19(28)23(29)32)22-27-26-18(34-22)7-13-5-6-14(24)8-17(13)25/h5-6,8,10,12,15,31H,4,7,9,11H2,1-3H3/t12?,15-/m0/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272307
PNG
(US10065950, Example 149)
Show SMILES CC(C)N1C[C@H](C)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20F2N4O3S/c1-10(2)26-8-11(3)27-9-14(18(28)19(29)17(27)21(26)30)20-25-24-16(31-20)6-12-4-5-13(22)7-15(12)23/h4-5,7,9-11,29H,6,8H2,1-3H3/t11-/m0/s1
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Japan Tobacco Inc

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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272356
PNG
(US10065950, Example 198 | US10065950, Example 206)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1C(C)C1CC1
Show InChI InChI=1S/C24H25FN4O4S/c1-13(15-5-6-15)29-17(12-33-2)10-28-11-18(21(30)22(31)20(28)24(29)32)23-27-26-19(34-23)9-14-3-7-16(25)8-4-14/h3-4,7-8,11,13,15,17,31H,5-6,9-10,12H2,1-2H3/t13?,17-/m0/s1
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272479
PNG
(US10065950, Example 327)
Show SMILES CC[C@@H]1Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC
Show InChI InChI=1S/C22H22FN3O3S/c1-3-15-11-25-12-17(19(27)20(28)18(25)22(29)26(15)4-2)21-24-10-16(30-21)9-13-5-7-14(23)8-6-13/h5-8,10,12,15,28H,3-4,9,11H2,1-2H3/t15-/m1/s1
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272353
PNG
(US10065950, Example 195)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1C1CCC1
Show InChI InChI=1S/C23H23FN4O4S/c1-32-12-16-10-27-11-17(20(29)21(30)19(27)23(31)28(16)15-3-2-4-15)22-26-25-18(33-22)9-13-5-7-14(24)8-6-13/h5-8,11,15-16,30H,2-4,9-10,12H2,1H3/t16-/m0/s1
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50137940
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-dimethylamino-...)
Show SMILES CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C39H44N4O4S/c1-41(2)30-19-23-42(24-20-30)37(44)16-10-25-47-35-27-29(39(46)43-22-9-8-15-36-34(43)21-26-48-36)17-18-33(35)40-38(45)32-14-7-6-13-31(32)28-11-4-3-5-12-28/h3-7,11-14,17-18,21,26-27,30H,8-10,15-16,19-20,22-25H2,1-2H3,(H,40,45)
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Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V1 receptor using [3H]AVP as radioligand in rat liver


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50137953
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-diethylamino-p...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C41H48N4O4S/c1-3-43(4-2)32-21-25-44(26-22-32)39(46)18-12-27-49-37-29-31(41(48)45-24-11-10-17-38-36(45)23-28-50-38)19-20-35(37)42-40(47)34-16-9-8-15-33(34)30-13-6-5-7-14-30/h5-9,13-16,19-20,23,28-29,32H,3-4,10-12,17-18,21-22,24-27H2,1-2H3,(H,42,47)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against arginine vasopressin V2 receptor using [3H]-AVP as radioligand in rat adrenal medulla


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50137956
PNG
(Biphenyl-2-carboxylic acid [2-[4-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C37H40N4O4S/c1-39-20-22-40(23-21-39)35(42)15-9-24-45-33-26-28(37(44)41-19-8-7-14-34-32(41)18-25-46-34)16-17-31(33)38-36(43)30-13-6-5-12-29(30)27-10-3-2-4-11-27/h2-6,10-13,16-18,25-26H,7-9,14-15,19-24H2,1H3,(H,38,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant arginine vasopressin V2 receptor using [3H]-AVP as radioligand in CHO cells


J Med Chem 47: 101-9 (2003)


Article DOI: 10.1021/jm030287l
BindingDB Entry DOI: 10.7270/Q2TX3DT7
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272342
PNG
(US10065950, Example 184)
Show SMILES CC(C)N1[C@H](CN(C)C(=O)C(C)(C)C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C27H31F2N5O4S/c1-14(2)34-17(11-32(6)26(38)27(3,4)5)12-33-13-18(22(35)23(36)21(33)25(34)37)24-31-30-20(39-24)9-15-7-8-16(28)10-19(15)29/h7-8,10,13-14,17,36H,9,11-12H2,1-6H3/t17-/m1/s1
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272257
PNG
(US10065950, Example 99)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H22F2N4O4S/c1-11(2)28-14(10-32-3)8-27-9-15(19(29)20(30)18(27)22(28)31)21-26-25-17(33-21)6-12-4-5-13(23)7-16(12)24/h4-5,7,9,11,14,30H,6,8,10H2,1-3H3/t14-/m0/s1
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272223
PNG
(US10065950, Example 64)
Show SMILES CC(C)N1C(Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O)C#N
Show InChI InChI=1S/C21H17F2N5O3S/c1-10(2)28-13(7-24)8-27-9-14(18(29)19(30)17(27)21(28)31)20-26-25-16(32-20)5-11-3-4-12(22)6-15(11)23/h3-4,6,9-10,13,30H,5,8H2,1-2H3
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272481
PNG
(US10065950, Example 329)
Show SMILES CCN1[C@@H](Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O)C(C)C
Show InChI InChI=1S/C23H24FN3O3S/c1-4-27-18(13(2)3)12-26-11-17(20(28)21(29)19(26)23(27)30)22-25-10-16(31-22)9-14-5-7-15(24)8-6-14/h5-8,10-11,13,18,29H,4,9,12H2,1-3H3/t18-/m0/s1
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272318
PNG
(US10065950, Example 160)
Show SMILES CNC(=O)C1CN(C)C(=O)c2c(O)c(=O)c(cn12)-c1ncc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C21H18F2N4O4S/c1-24-19(30)15-9-26(2)21(31)16-18(29)17(28)13(8-27(15)16)20-25-7-12(32-20)5-10-3-4-11(22)6-14(10)23/h3-4,6-8,15,29H,5,9H2,1-2H3,(H,24,30)
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272308
PNG
(US10065950, Example 150)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)c(F)c4)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H22F2N4O4S/c1-11(2)28-13(10-32-3)8-27-9-14(19(29)20(30)18(27)22(28)31)21-26-25-17(33-21)7-12-4-5-15(23)16(24)6-12/h4-6,9,11,13,30H,7-8,10H2,1-3H3/t13-/m0/s1
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Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272192
PNG
(US10065950, Example 33)
Show SMILES CC(C)N1CC(CC(O)=O)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H21F2N3O5S/c1-11(2)27-9-14(7-18(29)30)28-10-16(20(31)21(32)19(28)23(27)33)22-26-8-15(34-22)5-12-3-4-13(24)6-17(12)25/h3-4,6,8,10-11,14,32H,5,7,9H2,1-2H3,(H,29,30)
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Japan Tobacco Inc

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)


BindingDB Entry DOI: 10.7270/Q2RN39V2
More data for this
Ligand-Target Pair
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