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2 similar compounds to monomer 50359954

Wt: 378.4
BDBM50359955
Wt: 392.4
BDBM50359956

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50359955,50359956   
Target
(Institution)
LigandTarget
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))
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
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UniChem

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PubMed
0.0842n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50359956
PNG
(CHEMBL1927090)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-10-4-3-9-20(21)28-16-14-27(15-17-28)13-7-12-25-22(26-18-23)19-8-5-6-11-24-19/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,26)
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UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
17.2n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-HT1A receptor after 30 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D1


(RAT)
BDBM50359956
PNG
(CHEMBL1927090)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-10-4-3-9-20(21)28-16-14-27(15-17-28)13-7-12-25-22(26-18-23)19-8-5-6-11-24-19/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,26)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
52.4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359956
PNG
(CHEMBL1927090)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-10-4-3-9-20(21)28-16-14-27(15-17-28)13-7-12-25-22(26-18-23)19-8-5-6-11-24-19/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,26)
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PC sid
UniChem

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Article
PubMed
2.73E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D1


(RAT)
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat corpora striatum dopamine D1 receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-HT2A receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50359955
PNG
(CHEMBL1927089)
Show SMILES COc1ccc(cc1)N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C21H26N6O/c1-28-19-8-6-18(7-9-19)27-15-13-26(14-16-27)12-4-11-24-21(25-17-22)20-5-2-3-10-23-20/h2-3,5-10H,4,11-16H2,1H3,(H,24,25)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50359956
PNG
(CHEMBL1927090)
Show SMILES CCOc1ccccc1N1CCN(CCCN=C(NC#N)c2ccccn2)CC1
Show InChI InChI=1S/C22H28N6O/c1-2-29-21-10-4-3-9-20(21)28-16-14-27(15-17-28)13-7-12-25-22(26-18-23)19-8-5-6-11-24-19/h3-6,8-11H,2,7,12-17H2,1H3,(H,25,26)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat corpora striatum dopamine D2 receptor after 15 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair