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Compile Data Set for Download or QSAR

Found 4 hits of ic50 data for polymerid = 49001081,49001083   
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 receptor


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



MSD

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Vasopressin receptor


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



MSD

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50325847
PNG
(CHEMBL1223814 | N-(cyclopropylmethyl)-2-(6-(3-morp...)
Show SMILES O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1ccccc1)NCC1CC1
Show InChI InChI=1S/C27H32N4O4/c32-25(28-18-20-7-8-20)19-31-26(21-5-2-1-3-6-21)29-24-10-9-22(17-23(24)27(31)33)35-14-4-11-30-12-15-34-16-13-30/h1-3,5-6,9-10,17,20H,4,7-8,11-16,18-19H2,(H,28,32)
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n/an/a 210n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from rat vasopressin V3 receptor


Bioorg Med Chem Lett 20: 5394-7 (2010)

More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT)
BDBM50122716
PNG
(5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahy...)
Show SMILES CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
Show InChI InChI=1S/C21H29N3O/c1-2-12-24-13-9-16(10-14-24)15-25-21-18-7-5-11-22-20(18)17-6-3-4-8-19(17)23-21/h3-4,6,8,16,22H,2,5,7,9-15H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Ability to displace [3H]AVP from vasopressin V1 receptor


J Med Chem 46: 138-47 (2002)

More data for this
Ligand-Target Pair