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6 similar compounds to monomer 50087675

Wt: 658.2
BDBM50087664
Wt: 672.2
BDBM50087665
Wt: 575.0
BDBM50087666
Wt: 630.1
BDBM50087670
Wt: 632.1
BDBM50087674
Wt: 518.0
BDBM50087541

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50087664,50087665,50087666,50087670,50087674,50087541   
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
AVPR1A


(RAT)
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
UniProtKB/SwissProt

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PubMed
n/an/a 16n/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
Vasopressin V1a receptor (V1a)


(Homo sapiens (Human))
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
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PubMed
n/an/a 370n/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))
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
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PubMed
n/an/a 2.70n/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 V2 Receptor


(Rattus norvegicus (Rat))
BDBM50087541
PNG
(Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...)
Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12
Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC sid
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Similars

PubMed
n/an/a 1.5n/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))
BDBM50087674
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(3-{[(2-dim...)
Show SMILES CN(C)CCN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
Show InChI InChI=1S/C38H38ClN5O2/c1-41(2)21-22-42(3)25-30-18-19-31-26-44(36-16-10-7-13-28(36)24-43(30)31)38(46)34-20-17-29(23-35(34)39)40-37(45)33-15-9-8-14-32(33)27-11-5-4-6-12-27/h4-20,23H,21-22,24-26H2,1-3H3,(H,40,45)
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PubMed
n/an/a 2.60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


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


(Homo sapiens (Human))
BDBM50087665
PNG
(Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-dimet...)
Show SMILES CN(C)C1CCN(CC1)C(=O)c1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
Show InChI InChI=1S/C40H38ClN5O3/c1-43(2)30-20-22-44(23-21-30)40(49)37-19-17-31-26-46(36-15-9-6-12-28(36)25-45(31)37)39(48)34-18-16-29(24-35(34)41)42-38(47)33-14-8-7-13-32(33)27-10-4-3-5-11-27/h3-19,24,30H,20-23,25-26H2,1-2H3,(H,42,47)
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n/an/a 8.80n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


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


(Homo sapiens (Human))
BDBM50087666
PNG
(Biphenyl-2-carboxylic acid [3-chloro-4-(3-dimethyl...)
Show SMILES CN(C)Cc1ccc2CN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3Cl)c3ccccc3Cn12
Show InChI InChI=1S/C35H31ClN4O2/c1-38(2)22-27-17-18-28-23-40(33-15-9-6-12-25(33)21-39(27)28)35(42)31-19-16-26(20-32(31)36)37-34(41)30-14-8-7-13-29(30)24-10-4-3-5-11-24/h3-20H,21-23H2,1-2H3,(H,37,41)
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n/an/a 7.5n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


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


(Homo sapiens (Human))
BDBM50087670
PNG
(Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-methy...)
Show SMILES CN1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1
Show InChI InChI=1S/C38H36ClN5O2/c1-41-19-21-42(22-20-41)25-30-16-17-31-26-44(36-14-8-5-11-28(36)24-43(30)31)38(46)34-18-15-29(23-35(34)39)40-37(45)33-13-7-6-12-32(33)27-9-3-2-4-10-27/h2-18,23H,19-22,24-26H2,1H3,(H,40,45)
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n/an/a 1.30n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


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


(Homo sapiens (Human))
BDBM50087664
PNG
(Biphenyl-2-carboxylic acid {3-chloro-4-[3-(4-dimet...)
Show SMILES CN(C)C1CCN(Cc2ccc3CN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4Cl)c4ccccc4Cn23)CC1
Show InChI InChI=1S/C40H40ClN5O2/c1-43(2)31-20-22-44(23-21-31)26-32-17-18-33-27-46(38-15-9-6-12-29(38)25-45(32)33)40(48)36-19-16-30(24-37(36)41)42-39(47)35-14-8-7-13-34(35)28-10-4-3-5-11-28/h3-19,24,31H,20-23,25-27H2,1-2H3,(H,42,47)
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Patents


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PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-AVP from human vasopressin V2-receptor expressed in murine fibroblast cell (LV2) membranes


Citation and Details
More data for this
Ligand-Target Pair