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BDBM50039669 1-[5-Eth-(Z)-ylidene-5H-dibenzo[a,d]cyclohepten-10-yl]-4-methyl-piperazine::CHEMBL90977

SMILES: C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12

InChI Key: InChIKey=DISSGPVGANAWAA-ZUWFHJRGSA-N

Data: 6 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50039669   
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 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50039669
PNG
(1-[5-Eth-(Z)-ylidene-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:10|
Show InChI InChI=1S/C22H24N2/c1-3-18-19-9-5-4-8-17(19)16-22(21-11-7-6-10-20(18)21)24-14-12-23(2)13-15-24/h3-11,16H,12-15H2,1-2H3/b18-3-
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35n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Affinity was evaluated by inhibition of [3H]-GR-65,630 binding to NG108-15 cell transfected with cloned rat 5-hydroxytryptamine 3 receptor


J Med Chem 37: 2686-96 (1994)


BindingDB Entry DOI: 10.7270/Q28051NX
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50039669
PNG
(1-[5-Eth-(Z)-ylidene-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:10|
Show InChI InChI=1S/C22H24N2/c1-3-18-19-9-5-4-8-17(19)16-22(21-11-7-6-10-20(18)21)24-14-12-23(2)13-15-24/h3-11,16H,12-15H2,1-2H3/b18-3-
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68n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Affinity of the compound was evaluated as inhibition constant for dopamine receptor D1 using [3H]-SCH- 23390 as radioligand


J Med Chem 37: 2686-96 (1994)


BindingDB Entry DOI: 10.7270/Q28051NX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50039669
PNG
(1-[5-Eth-(Z)-ylidene-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:10|
Show InChI InChI=1S/C22H24N2/c1-3-18-19-9-5-4-8-17(19)16-22(21-11-7-6-10-20(18)21)24-14-12-23(2)13-15-24/h3-11,16H,12-15H2,1-2H3/b18-3-
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98n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Affinity was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2A receptor


J Med Chem 37: 2686-96 (1994)


BindingDB Entry DOI: 10.7270/Q28051NX
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50039669
PNG
(1-[5-Eth-(Z)-ylidene-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:10|
Show InChI InChI=1S/C22H24N2/c1-3-18-19-9-5-4-8-17(19)16-22(21-11-7-6-10-20(18)21)24-14-12-23(2)13-15-24/h3-11,16H,12-15H2,1-2H3/b18-3-
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110n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Affinity of the compound was evaluated by inhibition of [125I]-LSD binding to NIH 3T3 cells transfected with cloned rat 5-hydroxytryptamine 2C recept...


J Med Chem 37: 2686-96 (1994)


BindingDB Entry DOI: 10.7270/Q28051NX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50039669
PNG
(1-[5-Eth-(Z)-ylidene-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:10|
Show InChI InChI=1S/C22H24N2/c1-3-18-19-9-5-4-8-17(19)16-22(21-11-7-6-10-20(18)21)24-14-12-23(2)13-15-24/h3-11,16H,12-15H2,1-2H3/b18-3-
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300n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor


J Med Chem 37: 2686-96 (1994)


BindingDB Entry DOI: 10.7270/Q28051NX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039669
PNG
(1-[5-Eth-(Z)-ylidene-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES C\C=C1\c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:10|
Show InChI InChI=1S/C22H24N2/c1-3-18-19-9-5-4-8-17(19)16-22(21-11-7-6-10-20(18)21)24-14-12-23(2)13-15-24/h3-11,16H,12-15H2,1-2H3/b18-3-
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730n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-2(long) receptor


J Med Chem 37: 2686-96 (1994)


BindingDB Entry DOI: 10.7270/Q28051NX
More data for this
Ligand-Target Pair