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SMILES: C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45

InChI Key: InChIKey=HGMQRIBEHJQILA-MEDUHNTESA-N

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 6 hits for monomerid = 50087030   
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
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50087030
PNG
((1S,5aR)-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza...)
Show SMILES C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]-5-HT


J Med Chem 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50087030
PNG
((1S,5aR)-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza...)
Show SMILES C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1
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Article
PubMed
6n/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 1A


(Rattus norvegicus (rat))
BDBM50087030
PNG
((1S,5aR)-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza...)
Show SMILES C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1
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31n/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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50087030
PNG
((1S,5aR)-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza...)
Show SMILES C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1
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31.1n/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
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50087030
PNG
((1S,5aR)-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza...)
Show SMILES C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1
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Article
PubMed
39n/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))
BDBM50087030
PNG
((1S,5aR)-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza...)
Show SMILES C[C@H]1c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
Show InChI InChI=1S/C19H19N/c1-11-14-5-3-4-13-10-16-18-12(8-9-20(16)2)6-7-15(11)19(18)17(13)14/h3-7,11,16H,8-10H2,1-2H3/t11-,16+/m0/s1
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39.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured on cloned Human D2A Receptor which is labeled by [3H]-Raclopride


J Med Chem 43: 1339-49 (2001)


BindingDB Entry DOI: 10.7270/Q2RJ4HQ3
More data for this
Ligand-Target Pair