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BDBM50087024 (1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine::6-Methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine::CHEMBL27251

SMILES: CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45

InChI Key: InChIKey=DAKGDRVNCPHAPY-KDOFPFPSSA-N

Data: 14 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50087024   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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18n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from over-expressed rat 5-hydroxytryptamine 7 receptor


J Med Chem 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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18n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CHO cells


J Med Chem 44: 1337-40 (2001)


BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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18n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from rat SERT


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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18n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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93n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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355n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity was measured on cloned human 5-hydroxytryptamine 1A receptor which is labeled by [3H]-8-OH-DPAT


J Med Chem 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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355n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 44: 1337-40 (2001)


BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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360n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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373n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1-adrenergic receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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469n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 2A receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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2.25E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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2.25E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human Dopamine receptor D2A


J Med Chem 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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2.25E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from rat dopamine D2 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50087024
PNG
((1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-ben...)
Show SMILES CN1CCc2ccc3[C@@H](N)c4cccc5C[C@@H]1c2c3-c45
Show InChI InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
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2.25E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine receptor D2A expressed in mouse Ltk cells


J Med Chem 44: 1337-40 (2001)


BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair