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13 similar compounds to monomer 50416654

Compile data set for download or QSAR
Wt: 441.9
BDBM50416666
Wt: 455.9
BDBM50416645
Wt: 470.0
BDBM50416646
Wt: 455.9
BDBM50416647
Wt: 510.0
BDBM50416648
Wt: 496.0
BDBM50416649
Wt: 482.0
BDBM50416650
Wt: 510.0
BDBM50416651
Wt: 467.9
BDBM50416652
Wt: 482.0
BDBM50416653
Wt: 498.0
BDBM50416655
Wt: 470.0
BDBM50416656
Wt: 496.0
BDBM50416657

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50416666,50416645,50416646,50416647,50416648,50416649,50416650,50416651,50416652,50416653,50416655,50416656,50416657   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416645
PNG
(CHEMBL1221425)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCCN(C)CC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H30ClN5O2/c1-17(2)26-23(31)16-30-22(18-6-4-7-19(25)12-18)15-29-14-20(13-21(29)24(30)32)28-9-5-8-27(3)10-11-28/h4,6-7,12-15,17H,5,8-11,16H2,1-3H3,(H,26,31)
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n/an/a 12.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416646
PNG
(CHEMBL1222836)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCCC(C1)N(C)C)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H32ClN5O2/c1-17(2)27-24(32)16-31-23(18-7-5-8-19(26)11-18)15-30-14-21(12-22(30)25(31)33)29-10-6-9-20(13-29)28(3)4/h5,7-8,11-12,14-15,17,20H,6,9-10,13,16H2,1-4H3,(H,27,32)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416647
PNG
(CHEMBL1222837)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC(C1)N(C)C)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H30ClN5O2/c1-16(2)26-23(31)15-30-22(17-6-5-7-18(25)10-17)14-29-13-20(11-21(29)24(30)32)28-9-8-19(12-28)27(3)4/h5-7,10-11,13-14,16,19H,8-9,12,15H2,1-4H3,(H,26,31)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416648
PNG
(CHEMBL1222839)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC(CC1)N1CCCCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H36ClN5O2/c1-20(2)30-27(35)19-34-26(21-7-6-8-22(29)15-21)18-33-17-24(16-25(33)28(34)36)32-13-9-23(10-14-32)31-11-4-3-5-12-31/h6-8,15-18,20,23H,3-5,9-14,19H2,1-2H3,(H,30,35)
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n/an/a 5.01n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416649
PNG
(CHEMBL1222909)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC(CC1)N1CCCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H34ClN5O2/c1-19(2)29-26(34)18-33-25(20-6-5-7-21(28)14-20)17-32-16-23(15-24(32)27(33)35)31-12-8-22(9-13-31)30-10-3-4-11-30/h5-7,14-17,19,22H,3-4,8-13,18H2,1-2H3,(H,29,34)
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416650
PNG
(CHEMBL1222911)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC2(CCCN2C)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H32ClN5O2/c1-18(2)28-24(33)16-32-23(19-6-4-7-20(27)12-19)15-31-14-21(13-22(31)25(32)34)30-11-9-26(17-30)8-5-10-29(26)3/h4,6-7,12-15,18H,5,8-11,16-17H2,1-3H3,(H,28,33)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416666
PNG
(CHEMBL1222760)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCN(C)CC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClN5O2/c1-16(2)25-22(30)15-29-21(17-5-4-6-18(24)11-17)14-28-13-19(12-20(28)23(29)31)27-9-7-26(3)8-10-27/h4-6,11-14,16H,7-10,15H2,1-3H3,(H,25,30)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416652
PNG
(CHEMBL1222975)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC2(CNC2)CC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H30ClN5O2/c1-17(2)28-23(32)14-31-22(18-4-3-5-19(26)10-18)13-30-12-20(11-21(30)24(31)33)29-8-6-25(7-9-29)15-27-16-25/h3-5,10-13,17,27H,6-9,14-16H2,1-2H3,(H,28,32)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416653
PNG
(CHEMBL1222976)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC2(CN(C)C2)CC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H32ClN5O2/c1-18(2)28-24(33)15-32-23(19-5-4-6-20(27)11-19)14-31-13-21(12-22(31)25(32)34)30-9-7-26(8-10-30)16-29(3)17-26/h4-6,11-14,18H,7-10,15-17H2,1-3H3,(H,28,33)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416655
PNG
(CHEMBL1222838)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC(CCN(C)C)CC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H36ClN5O2/c1-19(2)29-26(34)18-33-25(21-6-5-7-22(28)14-21)17-32-16-23(15-24(32)27(33)35)31-12-9-20(10-13-31)8-11-30(3)4/h5-7,14-17,19-20H,8-13,18H2,1-4H3,(H,29,34)
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416656
PNG
(CHEMBL1222910)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N(C)C1CCN(C)CC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H32ClN5O2/c1-17(2)27-24(32)16-31-23(18-6-5-7-19(26)12-18)15-30-14-21(13-22(30)25(31)33)29(4)20-8-10-28(3)11-9-20/h5-7,12-15,17,20H,8-11,16H2,1-4H3,(H,27,32)
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416657
PNG
(CHEMBL1222974)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC2(CCN(C)C2)CC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H34ClN5O2/c1-19(2)29-25(34)17-33-24(20-5-4-6-21(28)13-20)16-32-15-22(14-23(32)26(33)35)31-11-8-27(9-12-31)7-10-30(3)18-27/h4-6,13-16,19H,7-12,17-18H2,1-3H3,(H,29,34)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50416651
PNG
(CHEMBL1222912)
Show SMILES CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCCC2(CCN(C)CC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H36ClN5O2/c1-20(2)30-26(35)18-34-25(21-6-4-7-22(29)14-21)17-33-16-23(15-24(33)27(34)36)32-11-5-8-28(19-32)9-12-31(3)13-10-28/h4,6-7,14-17,20H,5,8-13,18-19H2,1-3H3,(H,30,35)
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n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human vasopressin 1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced intracellular calcium mobil...


Bioorg Med Chem Lett 20: 5044-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.037
BindingDB Entry DOI: 10.7270/Q24J0GC3
More data for this
Ligand-Target Pair