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18 similar compounds to monomer 50384832

Compile data set for download or QSAR
Wt: 475.6
BDBM50002421
Wt: 447.6
BDBM50002427
Wt: 529.5
BDBM50002437
Wt: 475.6
BDBM50002416
Wt: 504.6
BDBM50002420
Wt: 504.6
BDBM50002426
Wt: 461.5
BDBM50002433
Wt: 479.5
BDBM50002434
Wt: 461.5
BDBM50002438
Wt: 529.5
BDBM50002412
Wt: 501.6
BDBM50002414
Wt: 475.6
BDBM50002429
Wt: 475.6
BDBM50002415
Wt: 475.6
BDBM50002430
Wt: 537.6
BDBM50384826
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50002421,50002427,50002437,50002416,50002420,50002426,50002433,50002434,50002438,50002412,50002414,50002429,50002415,50002430,50384826   
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
Oxytocin receptor


(HEK293)
BDBM50002430
PNG
(CHEMBL372978)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O3/c1-18(2)15-24-27(33)30-25(23-16-21-13-9-10-14-22(21)17-23)28(34)32(24)26(20-11-7-6-8-12-20)29(35)31(5)19(3)4/h6-14,18-19,23-26H,15-17H2,1-5H3,(H,30,33)/t24-,25-,26-/m1/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002438
PNG
(CHEMBL382518)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H35N3O3/c1-17(2)14-23-26(32)30-24(22-15-20-12-8-9-13-21(20)16-22)28(34)31(23)25(27(33)29-18(3)4)19-10-6-5-7-11-19/h5-13,17-18,22-25H,14-16H2,1-4H3,(H,29,33)(H,30,32)/t23-,24-,25-/m1/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002421
PNG
(CHEMBL555148)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(C)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O3/c1-17(2)14-24-27(33)31-25(23-15-21-8-6-7-9-22(21)16-23)29(35)32(24)26(28(34)30-18(3)4)20-12-10-19(5)11-13-20/h6-13,17-18,23-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t24-,25-,26-/m1/s1
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002416
PNG
(CHEMBL194374)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O3/c1-18(2)15-23-26(33)30-24(22-16-20-13-9-10-14-21(20)17-22)28(35)32(23)25(19-11-7-6-8-12-19)27(34)31-29(3,4)5/h6-14,18,22-25H,15-17H2,1-5H3,(H,30,33)(H,31,34)/t23-,24-,25-/m1/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002412
PNG
(CHEMBL198329)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H34F3N3O3/c1-16(2)13-23-26(36)34-24(21-14-19-7-5-6-8-20(19)15-21)28(38)35(23)25(27(37)33-17(3)4)18-9-11-22(12-10-18)29(30,31)32/h5-12,16-17,21,23-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t23-,24-,25-/m1/s1
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5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002426
PNG
(CHEMBL197298)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(cc2)C(N)=O)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-16(2)13-23-27(35)32-24(22-14-20-7-5-6-8-21(20)15-22)29(37)33(23)25(28(36)31-17(3)4)18-9-11-19(12-10-18)26(30)34/h5-12,16-17,22-25H,13-15H2,1-4H3,(H2,30,34)(H,31,36)(H,32,35)/t23-,24-,25-/m1/s1
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384826
PNG
(CHEMBL2035015)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2-c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C34H39N3O3/c1-21(2)18-29-32(38)36-30(26-19-24-14-8-9-15-25(24)20-26)34(40)37(29)31(33(39)35-22(3)4)28-17-11-10-16-27(28)23-12-6-5-7-13-23/h5-17,21-22,26,29-31H,18-20H2,1-4H3,(H,35,39)(H,36,38)/t29-,30-,31-/m1/s1
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002429
PNG
(CHEMBL194922)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)C)c2ccc(C)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O3/c1-17(2)14-24-27(33)31-25(23-15-21-8-6-7-9-22(21)16-23)29(35)32(24)26(28(34)30-18(3)4)20-12-10-19(5)11-13-20/h6-13,17-18,23-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t24-,25-,26+/m1/s1
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002433
PNG
(CHEMBL273988)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H35N3O3/c1-17(2)14-23-26(32)30-24(22-15-20-12-8-9-13-21(20)16-22)28(34)31(23)25(27(33)29-18(3)4)19-10-6-5-7-11-19/h5-13,17-18,22-25H,14-16H2,1-4H3,(H,29,33)(H,30,32)/t23-,24-,25+/m1/s1
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002414
PNG
(CHEMBL194432)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccccc2)C(=O)[C@@H](C2Cc3ccccc3C2)N(CC=C)C1=O
Show InChI InChI=1S/C31H39N3O3/c1-6-16-33-28(25-18-23-14-10-11-15-24(23)19-25)31(37)34(26(30(33)36)17-20(2)3)27(29(35)32-21(4)5)22-12-8-7-9-13-22/h6-15,20-21,25-28H,1,16-19H2,2-5H3,(H,32,35)/t26-,27-,28-/m1/s1
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002437
PNG
(CHEMBL194233)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)C)c2ccc(cc2)C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H34F3N3O3/c1-16(2)13-23-26(36)34-24(21-14-19-7-5-6-8-20(19)15-21)28(38)35(23)25(27(37)33-17(3)4)18-9-11-22(12-10-18)29(30,31)32/h5-12,16-17,21,23-25H,13-15H2,1-4H3,(H,33,37)(H,34,36)/t23-,24-,25+/m1/s1
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002415
PNG
(CHEMBL198328)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)(C)C)c2ccccc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H37N3O3/c1-18(2)15-23-26(33)30-24(22-16-20-13-9-10-14-21(20)17-22)28(35)32(23)25(19-11-7-6-8-12-19)27(34)31-29(3,4)5/h6-14,18,22-25H,15-17H2,1-5H3,(H,30,33)(H,31,34)/t23-,24-,25+/m1/s1
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002434
PNG
(CHEMBL427353)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)C)c2ccc(F)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H34FN3O3/c1-16(2)13-23-26(33)31-24(21-14-19-7-5-6-8-20(19)15-21)28(35)32(23)25(27(34)30-17(3)4)18-9-11-22(29)12-10-18/h5-12,16-17,21,23-25H,13-15H2,1-4H3,(H,30,34)(H,31,33)/t23-,24-,25+/m1/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002420
PNG
(CHEMBL196688)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)C)c2ccc(cc2)C(N)=O)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-16(2)13-23-27(35)32-24(22-14-20-7-5-6-8-21(20)15-22)29(37)33(23)25(28(36)31-17(3)4)18-9-11-19(12-10-18)26(30)34/h5-12,16-17,22-25H,13-15H2,1-4H3,(H2,30,34)(H,31,36)(H,32,35)/t23-,24-,25+/m1/s1
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50002427
PNG
(CHEMBL194431)
Show SMILES CC(C)C[C@@H]1CN[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1
Show InChI InChI=1S/C28H37N3O2/c1-18(2)14-24-17-29-25(23-15-21-12-8-9-13-22(21)16-23)28(33)31(24)26(27(32)30-19(3)4)20-10-6-5-7-11-20/h5-13,18-19,23-26,29H,14-17H2,1-4H3,(H,30,32)/t24-,25-,26-/m1/s1
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair