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BDBM50308172 (3R)-1-[2-Methyl-3-(naphthalen-1-ylsulfonyl)-2H-indazol-5-yl]pyrrolidin-3-amine::CHEMBL605971

SMILES: Cn1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1

InChI Key: InChIKey=AUNJSZUSKBJRIJ-MRXNPFEDSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50308172   
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 6


(Homo sapiens (Human))
BDBM50308172
PNG
((3R)-1-[2-Methyl-3-(naphthalen-1-ylsulfonyl)-2H-in...)
Show SMILES Cn1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H22N4O2S/c1-25-22(29(27,28)21-8-4-6-15-5-2-3-7-18(15)21)19-13-17(9-10-20(19)24-25)26-12-11-16(23)14-26/h2-10,13,16H,11-12,14,23H2,1H3/t16-/m1/s1
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Article
PubMed
54.3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor by scintillation counting


J Med Chem 53: 2521-7 (2010)


Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50308172
PNG
((3R)-1-[2-Methyl-3-(naphthalen-1-ylsulfonyl)-2H-in...)
Show SMILES Cn1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H22N4O2S/c1-25-22(29(27,28)21-8-4-6-15-5-2-3-7-18(15)21)19-13-17(9-10-20(19)24-25)26-12-11-16(23)14-26/h2-10,13,16H,11-12,14,23H2,1H3/t16-/m1/s1
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Article
PubMed
455n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT2B receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 2521-7 (2010)


Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50308172
PNG
((3R)-1-[2-Methyl-3-(naphthalen-1-ylsulfonyl)-2H-in...)
Show SMILES Cn1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C22H22N4O2S/c1-25-22(29(27,28)21-8-4-6-15-5-2-3-7-18(15)21)19-13-17(9-10-20(19)24-25)26-12-11-16(23)14-26/h2-10,13,16H,11-12,14,23H2,1H3/t16-/m1/s1
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 444n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned 5HT6 receptor expressed in human HeLa cells assessed as intracellular cAMP formation by RIA


J Med Chem 53: 2521-7 (2010)


Article DOI: 10.1021/jm901674f
BindingDB Entry DOI: 10.7270/Q22B8Z43
More data for this
Ligand-Target Pair