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BDBM50180251 1-((S)-2-aminopropyl)-1H-indazol-6-ol::CHEMBL371300

SMILES: C[C@H](N)Cn1ncc2ccc(O)cc12

InChI Key: InChIKey=WBYHTZYHAFNBKW-ZETCQYMHSA-N

Data: 15 KI  1 IC50  9 EC50

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 25 hits for monomerid = 50180251   
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 2C (5-HT2C)


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2C receptor expressed in CHO cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
8.10n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2B receptor expressed in CHO cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
12n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
141n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
515n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT4 receptor


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
2.27E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from cloned human adrenergic alpha2A receptor expressed in Sf9 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]clonidine from cloned human adrenergic Alpha-2C receptor expressed in Sf9 cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
7.87E+3n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT1D receptor


J Med Chem 49: 318-28 (2006)

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


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT5A receptor


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against SERT


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT1B receptor


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against NET


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5HT6 receptor


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against adrenergic alpha-1B receptor


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against adrenergic alpha-1A receptor


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
n/an/an/an/a 5.60E+3n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity at 5HT7 receptor expressed in human corneal epithelial CEPI-17-CL4 cells by adenylyl cyclase assay


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
n/an/an/an/a 2n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2B receptor in longitudinal stomach fundus strips in wistar rats


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against recombinant rat 5HT2C mediated intracellular calcium mobilization by FLIPR in SR3T3 cells


J Med Chem 49: 318-28 (2006)

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


(Rattus norvegicus (rat))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
n/an/a 0.580n/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]DOI binding to 5HT2A receptor in rat cerebral cortex


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
n/an/an/an/a 1.46E+3n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at cloned human 5HT1A receptor expressed in CHO cells by inhibition of forskolin-induced cAMP production


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
n/an/an/an/a 2.60E+3n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity at adrenergic alpha2A receptor expressed in human clonic adenocarcinoma HT29 cell by tissue contraction assay


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
n/an/an/an/a 3.05E+3n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity at adrenergic alpha-2B receptor expressed in opposum kidney OK cell by adenylyl cyclase assay


J Med Chem 49: 318-28 (2006)

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


(Rattus norvegicus (rat))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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PubMed
n/an/an/an/a 43n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2A mediated intracellular calcium mobilization by FLIPR in rat vascular smooth muscle cells


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity at adrenergic alpha2C receptor expressed in rat-mouse hybrid NH108-15 cell by adenylyl cyclase assay


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50180251
PNG
(1-((S)-2-aminopropyl)-1H-indazol-6-ol | CHEMBL3713...)
Show SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
Show InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity at adrenergic alpha-2A receptor expressed in human clonic adenocarcinoma HT29 cell by adenylyl cyclase assay


J Med Chem 49: 318-28 (2006)

More data for this
Ligand-Target Pair