BindingDB logo
myBDB logout

3 similar compounds to monomer 50097891

Compile data set for download or QSAR
Wt: 236.2
BDBM50094669
Wt: 236.2
BDBM50094674
Wt: 250.2
BDBM50330858

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50094669,50094674,50330858   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards human 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT-as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00062-2
BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094669
PNG
(CHEMBL337590 | [2-(6-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1cc2c(CCN(C)C)c[nH]c2cc1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)5-4-9-8-15-12-7-11(14)13(17-3)6-10(9)12/h6-8,15H,4-5H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094669
PNG
(CHEMBL337590 | [2-(6-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1cc2c(CCN(C)C)c[nH]c2cc1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)5-4-9-8-15-12-7-11(14)13(17-3)6-10(9)12/h6-8,15H,4-5H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards rat 5-hydroxytryptamine 2C receptor was determined using [125I]- DOI as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00062-2
BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50094669
PNG
(CHEMBL337590 | [2-(6-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1cc2c(CCN(C)C)c[nH]c2cc1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)5-4-9-8-15-12-7-11(14)13(17-3)6-10(9)12/h6-8,15H,4-5H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
84.5n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [3H]-8-OH-DPAT-labeled human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
122n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the binding constant at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
122n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinitty towards rat 5-hydroxytryptamine 2A receptor was determined using [125I]- DOI as radioligand


Bioorg Med Chem Lett 11: 793-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00062-2
BindingDB Entry DOI: 10.7270/Q2ZC824R
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50330858
PNG
(6-Fluoromelatonin | CHEMBL333886 | N-[2-(6-Fluoro-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1F
Show InChI InChI=1S/C13H15FN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


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


J Med Chem 53: 7573-86 (2010)


Article DOI: 10.1021/jm100600y
BindingDB Entry DOI: 10.7270/Q2S182RT
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094669
PNG
(CHEMBL337590 | [2-(6-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1cc2c(CCN(C)C)c[nH]c2cc1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)5-4-9-8-15-12-7-11(14)13(17-3)6-10(9)12/h6-8,15H,4-5H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.90E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.81E+4n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for the effective concentration at [125I]-DOI-labeled rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50094674
PNG
(CHEMBL142862 | [2-(4-Fluoro-5-methoxy-1H-indol-3-y...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1F
Show InChI InChI=1S/C13H17FN2O/c1-16(2)7-6-9-8-15-10-4-5-11(17-3)13(14)12(9)10/h4-5,8,15H,6-7H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.930n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
EC50 for inhibition of 50 microM forskolin-stimulated cAMP accumulation against 5-hydroxytryptamine 1A receptor


J Med Chem 43: 4701-10 (2001)


Article DOI: 10.1021/jm000339w
BindingDB Entry DOI: 10.7270/Q2HT2NM7
More data for this
Ligand-Target Pair