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25 similar compounds to monomer 50384830

Compile data set for download or QSAR
Wt: 475.6
BDBM50002421		Wt: 510.0
BDBM50002423		Wt: 447.6
BDBM50002427		Wt: 505.6
BDBM50002432		Wt: 510.0
BDBM50002436
Wt: 529.5
BDBM50002437		Wt: 475.6
BDBM50002416		Wt: 504.6
BDBM50002420		Wt: 504.6
BDBM50002407		Wt: 504.6
BDBM50002426
Wt: 461.5
BDBM50002433		Wt: 479.5
BDBM50002434		Wt: 461.5
BDBM50002438		Wt: 529.5
BDBM50002412		Wt: 501.6
BDBM50002414
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50002421,50002423,50002427,50002432,50002436,50002437,50002416,50002420,50002407,50002426,50002433,50002434,50002438,50002412,50002414   
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)		BDBM50002436
PNG
(CHEMBL381024)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)(C)C)c2ccc(Cl)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36ClN3O3/c1-17(2)14-23-26(34)31-24(21-15-19-8-6-7-9-20(19)16-21)28(36)33(23)25(27(35)32-29(3,4)5)18-10-12-22(30)13-11-18/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1
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 2.5n/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)		BDBM50002432
PNG
(CHEMBL372128)
Show SMILES COc1ccc(cc1)[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C30H39N3O4/c1-18(2)15-24-27(34)31-25(22-16-20-9-7-8-10-21(20)17-22)29(36)33(24)26(28(35)32-30(3,4)5)19-11-13-23(37-6)14-12-19/h7-14,18,22,24-26H,15-17H2,1-6H3,(H,31,34)(H,32,35)/t24-,25-,26-/m1/s1
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 2.5n/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)		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)		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)		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)		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)		BDBM50002407
PNG
(CHEMBL371291)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)C)c2ccc(cc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H40N4O3/c1-18(2)15-25-28(35)32-26(23-16-21-9-7-8-10-22(21)17-23)30(37)34(25)27(29(36)31-19(3)4)20-11-13-24(14-12-20)33(5)6/h7-14,18-19,23,25-27H,15-17H2,1-6H3,(H,31,36)(H,32,35)/t25-,26-,27+/m1/s1
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 25n/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)		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)		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)		BDBM50002423
PNG
(CHEMBL198964)
Show SMILES CC(C)C[C@H]1N([C@H](C(=O)NC(C)(C)C)c2ccc(Cl)cc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36ClN3O3/c1-17(2)14-23-26(34)31-24(21-15-19-8-6-7-9-20(19)16-21)28(36)33(23)25(27(35)32-29(3,4)5)18-10-12-22(30)13-11-18/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,31,34)(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