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9 similar compounds to monomer 50177366

Compile data set for download or QSAR
Wt: 497.6
BDBM50166032
Wt: 497.6
BDBM50166026
Wt: 497.6
BDBM50177362
Wt: 498.6
BDBM50177363
Wt: 498.6
BDBM50177364
Wt: 498.6
BDBM50177365
Wt: 498.6
BDBM50177367
Wt: 498.6
BDBM50177368
Wt: 497.6
BDBM50253327

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50166032,50166026,50177362,50177363,50177364,50177365,50177367,50177368,50253327   
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
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177362
PNG
(CHEMBL201339 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5c4)CC3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23-,28-,29?
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5.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50253327
PNG
(CHEMBL524005 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23-,28-,29-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50166026
PNG
(CHEMBL365340 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PD 128907 binding to Dopamine receptor D3 in rat ventral striatum


J Med Chem 48: 3171-81 (2005)


Article DOI: 10.1021/jm049031l
BindingDB Entry DOI: 10.7270/Q2NZ874W
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50166032
PNG
(CHEMBL191894 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PD 128907 binding to Dopamine receptor D3 in rat ventral striatum


J Med Chem 48: 3171-81 (2005)


Article DOI: 10.1021/jm049031l
BindingDB Entry DOI: 10.7270/Q2NZ874W
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177363
PNG
(CHEMBL199770 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccnc5ccccc45)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-26-12-13-30-23(20-26)8-11-25-21-34(18-19-35(25)30)17-15-22-6-9-24(10-7-22)33-31(36)28-14-16-32-29-5-3-2-4-27(28)29/h2-5,12-14,16,20,22,24-25H,6-11,15,17-19,21H2,1H3,(H,33,36)/t22-,24-,25?
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16n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177367
PNG
(CHEMBL201702 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4cc5ccccc5cn4)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-28-12-13-30-24(18-28)8-11-27-21-34(16-17-35(27)30)15-14-22-6-9-26(10-7-22)33-31(36)29-19-23-4-2-3-5-25(23)20-32-29/h2-5,12-13,18-20,22,26-27H,6-11,14-17,21H2,1H3,(H,33,36)/t22-,26-,27?
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48n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177368
PNG
(CHEMBL373052 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4cnc5ccccc5c4)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-28-12-13-30-24(19-28)8-11-27-21-34(16-17-35(27)30)15-14-22-6-9-26(10-7-22)33-31(36)25-18-23-4-2-3-5-29(23)32-20-25/h2-5,12-13,18-20,22,26-27H,6-11,14-17,21H2,1H3,(H,33,36)/t22-,26-,27?
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51n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177365
PNG
(CHEMBL264520 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4cccc5cccnc45)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-27-13-14-29-24(20-27)9-12-26-21-34(18-19-35(26)29)17-15-22-7-10-25(11-8-22)33-31(36)28-6-2-4-23-5-3-16-32-30(23)28/h2-6,13-14,16,20,22,25-26H,7-12,15,17-19,21H2,1H3,(H,33,36)/t22-,25-,26?
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87n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50177364
PNG
(CHEMBL200183 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5n4)CC3CCc2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-27-13-15-30-24(20-27)8-12-26-21-34(18-19-35(26)30)17-16-22-6-10-25(11-7-22)32-31(36)29-14-9-23-4-2-3-5-28(23)33-29/h2-5,9,13-15,20,22,25-26H,6-8,10-12,16-19,21H2,1H3,(H,32,36)/t22-,25-,26?
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183n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]PD 128907 from rat ventral striatal membrane dopamine D3-like receptor


Bioorg Med Chem Lett 16: 443-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.053
BindingDB Entry DOI: 10.7270/Q2PR7VJK
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50166026
PNG
(CHEMBL365340 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Spiperone binding to Dopamine receptor D2-like in rat caudate-putamen membrane


J Med Chem 48: 3171-81 (2005)


Article DOI: 10.1021/jm049031l
BindingDB Entry DOI: 10.7270/Q2NZ874W
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50166032
PNG
(CHEMBL191894 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Spiperone binding to Dopamine receptor D2-like in rat caudate-putamen membrane


J Med Chem 48: 3171-81 (2005)


Article DOI: 10.1021/jm049031l
BindingDB Entry DOI: 10.7270/Q2NZ874W
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50253327
PNG
(CHEMBL524005 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23-,28-,29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166026
PNG
(CHEMBL365340 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


J Med Chem 48: 3171-81 (2005)


Article DOI: 10.1021/jm049031l
BindingDB Entry DOI: 10.7270/Q2NZ874W
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50253327
PNG
(CHEMBL524005 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccc5ccccc5c4)C[C@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23-,28-,29-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum


J Med Chem 51: 5905-8 (2008)


Article DOI: 10.1021/jm800471h
BindingDB Entry DOI: 10.7270/Q2FN161H
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50166032
PNG
(CHEMBL191894 | Naphthalene-2-carboxylic acid {4-[2...)
Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1
Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain


J Med Chem 48: 3171-81 (2005)


Article DOI: 10.1021/jm049031l
BindingDB Entry DOI: 10.7270/Q2NZ874W
More data for this
Ligand-Target Pair