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27 similar compounds to monomer 50384818

Compile data set for download or QSAR
Wt: 532.6
BDBM50384800
Wt: 476.6
BDBM50384801
Wt: 462.5
BDBM50384802
Wt: 504.6
BDBM50384803
Wt: 504.6
BDBM50384804
Wt: 462.5
BDBM50384805
Wt: 462.5
BDBM50384806
Wt: 502.6
BDBM50384807
Wt: 460.5
BDBM50384808
Wt: 488.6
BDBM50384809
Wt: 462.5
BDBM50384810
Wt: 464.5
BDBM50384813
Wt: 476.6
BDBM50384815
Wt: 490.6
BDBM50384816
Wt: 518.6
BDBM50384817
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50384800,50384801,50384802,50384803,50384804,50384805,50384806,50384807,50384808,50384809,50384810,50384813,50384815,50384816,50384817   
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)
BDBM50384817
PNG
(CHEMBL2037514)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H38N4O4/c1-4-20(5-2)26-28(35)32-25(24-16-21-8-6-7-9-22(21)17-24)29(36)34(26)27(23-11-10-19(3)31-18-23)30(37)33-12-14-38-15-13-33/h6-11,18,20,24-27H,4-5,12-17H2,1-3H3,(H,32,35)/t25-,26-,27-/m1/s1
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0.0251n/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 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)
BDBM50384800
PNG
(CHEMBL2037517)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C31H40N4O4/c1-5-21(6-2)27-29(36)33-26(24-17-22-9-7-8-10-23(22)18-24)30(37)35(27)28(25-12-11-19(3)32-20(25)4)31(38)34-13-15-39-16-14-34/h7-12,21,24,26-28H,5-6,13-18H2,1-4H3,(H,33,36)/t26-,27-,28-/m1/s1
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0.0316n/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 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)
BDBM50384816
PNG
(CHEMBL2037516)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H38N4O3/c1-7-19(8-2)25-27(34)31-24(22-15-20-11-9-10-12-21(20)16-22)28(35)33(25)26(29(36)32(5)6)23-14-13-17(3)30-18(23)4/h9-14,19,22,24-26H,7-8,15-16H2,1-6H3,(H,31,34)/t24-,25-,26-/m1/s1
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0.0316n/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 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)
BDBM50384815
PNG
(CHEMBL2037496)
Show SMILES CN(C)C(=O)[C@H](N1[C@H](CC(C)(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)c1ccc(C)nc1
Show InChI InChI=1S/C28H36N4O3/c1-17-11-12-20(16-29-17)24(27(35)31(5)6)32-22(15-28(2,3)4)25(33)30-23(26(32)34)21-13-18-9-7-8-10-19(18)14-21/h7-12,16,21-24H,13-15H2,1-6H3,(H,30,33)/t22-,23-,24-/m1/s1
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0.0631n/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 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)
BDBM50384803
PNG
(CHEMBL2037501)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24+,25+,26+/m0/s1
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0.158n/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 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)
BDBM50384805
PNG
(CHEMBL2037499)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O3/c1-6-16(2)23-25(32)29-22(21-13-18-9-7-8-10-19(18)14-21)26(33)31(23)24(27(34)30(4)5)20-12-11-17(3)28-15-20/h7-12,15-16,21-24H,6,13-14H2,1-5H3,(H,29,32)/t16-,22+,23+,24+/m0/s1
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0.200n/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 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)
BDBM50384804
PNG
(CHEMBL2037500)
Show SMILES CC[C@@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24-,25-,26-/m1/s1
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0.501n/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 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)
BDBM50384809
PNG
(CHEMBL2037493)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O3/c1-18(2)14-24-27(34)31-25(23-15-20-8-4-5-9-21(20)16-23)28(35)33(24)26(22-11-10-19(3)30-17-22)29(36)32-12-6-7-13-32/h4-5,8-11,17-18,23-26H,6-7,12-16H2,1-3H3,(H,31,34)/t24-,25-,26-/m1/s1
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0.501n/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 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)
BDBM50384801
PNG
(CHEMBL2037504)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2cc(C)cnc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H36N4O3/c1-7-17(3)24-26(33)30-23(21-13-19-10-8-9-11-20(19)14-21)27(34)32(24)25(28(35)31(5)6)22-12-16(2)15-29-18(22)4/h8-12,15,17,21,23-25H,7,13-14H2,1-6H3,(H,30,33)/t17-,23+,24+,25+/m0/s1
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0.794n/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 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)
BDBM50384806
PNG
(CHEMBL2037498)
Show SMILES CC[C@@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O3/c1-6-16(2)23-25(32)29-22(21-13-18-9-7-8-10-19(18)14-21)26(33)31(23)24(27(34)30(4)5)20-12-11-17(3)28-15-20/h7-12,15-16,21-24H,6,13-14H2,1-5H3,(H,29,32)/t16-,22-,23-,24-/m1/s1
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1n/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 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)
BDBM50384802
PNG
(CHEMBL2037503)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)NC)c2cc(C)cnc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O3/c1-6-16(3)23-26(33)30-22(20-12-18-9-7-8-10-19(18)13-20)27(34)31(23)24(25(32)28-5)21-11-15(2)14-29-17(21)4/h7-11,14,16,20,22-24H,6,12-13H2,1-5H3,(H,28,32)(H,30,33)/t16-,22+,23+,24+/m0/s1
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1.26n/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 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)
BDBM50384810
PNG
(CHEMBL2037491)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O3/c1-16(2)12-22-25(32)29-23(21-13-18-8-6-7-9-19(18)14-21)26(33)31(22)24(27(34)30(4)5)20-11-10-17(3)28-15-20/h6-11,15-16,21-24H,12-14H2,1-5H3,(H,29,32)/t22-,23-,24-/m1/s1
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1.58n/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 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)
BDBM50384813
PNG
(CHEMBL2037488)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(=O)[nH]c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C26H32N4O4/c1-15(2)11-20-24(32)28-22(19-12-16-7-5-6-8-17(16)13-19)25(33)30(20)23(26(34)29(3)4)18-9-10-21(31)27-14-18/h5-10,14-15,19-20,22-23H,11-13H2,1-4H3,(H,27,31)(H,28,32)/t20-,22-,23-/m1/s1
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3.16n/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 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)
BDBM50384807
PNG
(CHEMBL2037495)
Show SMILES Cc1ccc(cn1)[C@@H](N1[C@H](CC2CC2)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H34N4O4/c1-18-6-9-22(17-30-18)26(29(36)32-10-12-37-13-11-32)33-24(14-19-7-8-19)27(34)31-25(28(33)35)23-15-20-4-2-3-5-21(20)16-23/h2-6,9,17,19,23-26H,7-8,10-16H2,1H3,(H,31,34)/t24-,25-,26-/m1/s1
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5.01n/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 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)
BDBM50384808
PNG
(CHEMBL2037494)
Show SMILES CN(C)C(=O)[C@H](N1[C@H](CC2CC2)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)c1ccc(C)nc1
Show InChI InChI=1S/C27H32N4O3/c1-16-8-11-20(15-28-16)24(27(34)30(2)3)31-22(12-17-9-10-17)25(32)29-23(26(31)33)21-13-18-6-4-5-7-19(18)14-21/h4-8,11,15,17,21-24H,9-10,12-14H2,1-3H3,(H,29,32)/t22-,23-,24-/m1/s1
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5.01n/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 55: 783-96 (2012)


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