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5 similar compounds to monomer 50087550

Wt: 487.0
BDBM50087543
Wt: 479.8
BDBM50087549
Wt: 442.9
BDBM50087542
Wt: 452.5
BDBM50370391
Wt: 410.9
BDBM50370402

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50087543,50087549,50087542,50370391,50370402   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1a receptor (V1a)


(Homo sapiens (Human))
BDBM50087543
PNG
(Biphenyl-2-carboxylic acid [4-(2-chloro-5,6,7,8-te...)
Show SMILES Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C28H23ClN2O2S/c29-26-18-24-25(34-26)12-6-7-17-31(24)28(33)20-13-15-21(16-14-20)30-27(32)23-11-5-4-10-22(23)19-8-2-1-3-9-19/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,32)
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n/an/a 82n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50087542
PNG
(CHEMBL350089 | N-[3-Chloro-4-(5,6,7,8-tetrahydro-t...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc23)c(Cl)c1
Show InChI InChI=1S/C23H20ClFN2O2S/c1-14-5-6-15(25)12-18(14)22(28)26-16-7-8-17(19(24)13-16)23(29)27-10-3-2-4-21-20(27)9-11-30-21/h5-9,11-13H,2-4,10H2,1H3,(H,26,28)
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V1a receptor (V1a)


(Homo sapiens (Human))
BDBM50087542
PNG
(CHEMBL350089 | N-[3-Chloro-4-(5,6,7,8-tetrahydro-t...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc23)c(Cl)c1
Show InChI InChI=1S/C23H20ClFN2O2S/c1-14-5-6-15(25)12-18(14)22(28)26-16-7-8-17(19(24)13-16)23(29)27-10-3-2-4-21-20(27)9-11-30-21/h5-9,11-13H,2-4,10H2,1H3,(H,26,28)
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n/an/a 110n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity to human V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50087549
PNG
(2,4-Dichloro-N-[4-(2-chloro-5,6,7,8-tetrahydro-thi...)
Show SMILES Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H17Cl3N2O2S/c23-14-6-9-16(17(24)11-14)21(28)26-15-7-4-13(5-8-15)22(29)27-10-2-1-3-19-18(27)12-20(25)30-19/h4-9,11-12H,1-3,10H2,(H,26,28)
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n/an/a 19n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50370402
PNG
(CHEMBL441498)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C22H19ClN2O2S/c23-18-6-2-1-5-17(18)21(26)24-16-10-8-15(9-11-16)22(27)25-13-4-3-7-20-19(25)12-14-28-20/h1-2,5-6,8-12,14H,3-4,7,13H2,(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50087543
PNG
(Biphenyl-2-carboxylic acid [4-(2-chloro-5,6,7,8-te...)
Show SMILES Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C28H23ClN2O2S/c29-26-18-24-25(34-26)12-6-7-17-31(24)28(33)20-13-15-21(16-14-20)30-27(32)23-11-5-4-10-22(23)19-8-2-1-3-9-19/h1-5,8-11,13-16,18H,6-7,12,17H2,(H,30,32)
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity to rat V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50370391
PNG
(CHEMBL175813)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2sccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H24N2O2S/c31-27(24-11-5-4-10-23(24)20-8-2-1-3-9-20)29-22-15-13-21(14-16-22)28(32)30-18-7-6-12-26-25(30)17-19-33-26/h1-5,8-11,13-17,19H,6-7,12,18H2,(H,29,31)
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50370402
PNG
(CHEMBL441498)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2sccc12
Show InChI InChI=1S/C22H19ClN2O2S/c23-18-6-2-1-5-17(18)21(26)24-16-10-8-15(9-11-16)22(27)25-13-4-3-7-20-19(25)12-14-28-20/h1-2,5-6,8-12,14H,3-4,7,13H2,(H,24,26)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50370391
PNG
(CHEMBL175813)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1CCCCc2sccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H24N2O2S/c31-27(24-11-5-4-10-23(24)20-8-2-1-3-9-20)29-22-15-13-21(14-16-22)28(32)30-18-7-6-12-26-25(30)17-19-33-26/h1-5,8-11,13-17,19H,6-7,12,18H2,(H,29,31)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50087549
PNG
(2,4-Dichloro-N-[4-(2-chloro-5,6,7,8-tetrahydro-thi...)
Show SMILES Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C22H17Cl3N2O2S/c23-14-6-9-16(17(24)11-14)21(28)26-15-7-4-13(5-8-15)22(29)27-10-2-1-3-19-18(27)12-20(25)30-19/h4-9,11-12H,1-3,10H2,(H,26,28)
UniProtKB/SwissProt

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PubMed
n/an/a 230n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat V1a receptor


Citation and Details
More data for this
Ligand-Target Pair