BindingDB logo
myBDB logout

5 similar compounds to monomer 50236781

Compile data set for download or QSAR
Wt: 421.9
BDBM50236802
Wt: 441.5
BDBM50236791
Wt: 438.3
BDBM50236797
Wt: 478.4
BDBM50236798
Wt: 448.3
BDBM50236800

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50236802,50236791,50236797,50236798,50236800   
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 (5-HT) receptor


(Homo sapiens (Human))
BDBM50236798
PNG
(CHEMBL4064995)
Show SMILES COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(21-8-5-18(28-2)13-20(16)21)29(26,27)19-6-3-17(22)4-7-19/h3-8,13,15H,9-12,14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)

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


(Homo sapiens (Human))
BDBM50236800
PNG
(CHEMBL4100818)
Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2cccc(Br)c2)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-9-11-23(12-10-22)14-16-15-24(20-8-3-2-7-19(16)20)27(25,26)18-6-4-5-17(21)13-18/h2-8,13,15H,9-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Agonist efficacy as effective concentration to stimulate binding of [35S]GTP-gamma-S, by activation of human A3AR receptor


J Med Chem 60: 1843-1859 (2017)

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


(Homo sapiens (Human))
BDBM50236797
PNG
(CHEMBL4074234)
Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C20H21Cl2N3O2S/c1-23-8-10-24(11-9-23)13-15-14-25(19-5-3-2-4-17(15)19)28(26,27)20-7-6-16(21)12-18(20)22/h2-7,12,14H,8-11,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
28n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)

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


(Homo sapiens (Human))
BDBM50236802
PNG
(CHEMBL4098815)
Show SMILES CN1CCN(Cc2cn(c3cccc(Cl)c23)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-9-11-24(12-10-23)13-15-14-25(19-4-2-3-18(21)20(15)19)28(26,27)17-7-5-16(22)6-8-17/h2-8,14H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
31n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)

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


(Homo sapiens (Human))
BDBM50236791
PNG
(CHEMBL4066047)
Show SMILES COc1ccc2c(CN3CCN(C)CC3)cn(c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C24H31N3O3S/c1-18(2)19-5-8-22(9-6-19)31(28,29)27-17-20(16-26-13-11-25(3)12-14-26)23-10-7-21(30-4)15-24(23)27/h5-10,15,17-18H,11-14,16H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
36n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins


J Med Chem 60: 1843-1859 (2017)

More data for this
Ligand-Target Pair