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3 similar compounds to monomer 50203558

Compile data set for download or QSAR
Wt: 467.5
BDBM50203553
Wt: 533.6
BDBM50203561
Wt: 467.5
BDBM50203562

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50203553,50203561,50203562   
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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50203561
PNG
((4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC
Show InChI InChI=1S/C31H39N3O5/c1-36-26-7-6-22(19-32-13-8-21-16-27(37-2)28(38-3)17-23(21)20-32)25-18-29(39-30(25)26)31(35)34-14-9-24(10-15-34)33-11-4-5-12-33/h6-7,16-18,24H,4-5,8-15,19-20H2,1-3H3
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3.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50203553
PNG
(CHEMBL247664 | N-(2-amino-2-methylpropyl)-4-((6,7-...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC
Show InChI InChI=1S/C26H33N3O5/c1-26(2,27)15-28-25(30)23-12-19-17(6-7-20(31-3)24(19)34-23)13-29-9-8-16-10-21(32-4)22(33-5)11-18(16)14-29/h6-7,10-12H,8-9,13-15,27H2,1-5H3,(H,28,30)
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4.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50203562
PNG
(4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC
Show InChI InChI=1S/C26H33N3O5/c1-28(2)11-9-27-26(30)24-14-20-18(6-7-21(31-3)25(20)34-24)15-29-10-8-17-12-22(32-4)23(33-5)13-19(17)16-29/h6-7,12-14H,8-11,15-16H2,1-5H3,(H,27,30)
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9.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from adrenergic Alpha-2C receptor in HepG2 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50203553
PNG
(CHEMBL247664 | N-(2-amino-2-methylpropyl)-4-((6,7-...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC
Show InChI InChI=1S/C26H33N3O5/c1-26(2,27)15-28-25(30)23-12-19-17(6-7-20(31-3)24(19)34-23)13-29-9-8-16-10-21(32-4)22(33-5)11-18(16)14-29/h6-7,10-12H,8-9,13-15,27H2,1-5H3,(H,28,30)
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141n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50203561
PNG
((4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC
Show InChI InChI=1S/C31H39N3O5/c1-36-26-7-6-22(19-32-13-8-21-16-27(37-2)28(38-3)17-23(21)20-32)25-18-29(39-30(25)26)31(35)34-14-9-24(10-15-34)33-11-4-5-12-33/h6-7,16-18,24H,4-5,8-15,19-20H2,1-3H3
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186n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50203562
PNG
(4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC
Show InChI InChI=1S/C26H33N3O5/c1-28(2)11-9-27-26(30)24-14-20-18(6-7-21(31-3)25(20)34-24)15-29-10-8-17-12-22(32-4)23(33-5)13-19(17)16-29/h6-7,12-14H,8-11,15-16H2,1-5H3,(H,27,30)
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Article
PubMed
454n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from adrenergic alpha2A receptor in HT29 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50203561
PNG
((4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)N3CCC(CC3)N3CCCC3)Cc2cc1OC
Show InChI InChI=1S/C31H39N3O5/c1-36-26-7-6-22(19-32-13-8-21-16-27(37-2)28(38-3)17-23(21)20-32)25-18-29(39-30(25)26)31(35)34-14-9-24(10-15-34)33-11-4-5-12-33/h6-7,16-18,24H,4-5,8-15,19-20H2,1-3H3
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PubMed
1.36E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50203553
PNG
(CHEMBL247664 | N-(2-amino-2-methylpropyl)-4-((6,7-...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCC(C)(C)N)Cc2cc1OC
Show InChI InChI=1S/C26H33N3O5/c1-26(2,27)15-28-25(30)23-12-19-17(6-7-20(31-3)24(19)34-23)13-29-9-8-16-10-21(32-4)22(33-5)11-18(16)14-29/h6-7,10-12H,8-9,13-15,27H2,1-5H3,(H,28,30)
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Article
PubMed
1.54E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50203562
PNG
(4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)...)
Show SMILES COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NCCN(C)C)Cc2cc1OC
Show InChI InChI=1S/C26H33N3O5/c1-28(2)11-9-27-26(30)24-14-20-18(6-7-21(31-3)25(20)34-24)15-29-10-8-17-12-22(32-4)23(33-5)13-19(17)16-29/h6-7,12-14H,8-11,15-16H2,1-5H3,(H,27,30)
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Article
PubMed
2.07E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from adrenergic alpha-2B receptor expressed in COS7 cells


Bioorg Med Chem Lett 17: 1616-21 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.094
BindingDB Entry DOI: 10.7270/Q2TD9Z5F
More data for this
Ligand-Target Pair