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BDBM50174950 6-Sulfamoyl-chroman-2-carboxylic acid [(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-methyl-amide::CHEMBL197123

SMILES: CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(ccc2O1)S(N)(=O)=O

InChI Key: InChIKey=FNETXDSKTUEDMJ-RUYIAYPLSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50174950   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50174950
PNG
(6-Sulfamoyl-chroman-2-carboxylic acid [(S)-2-((S)-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(ccc2O1)S(N)(=O)=O
Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-5-3-2-4-6-16)15-26-12-11-18(27)14-26)23(28)22-9-7-17-13-19(32(24,29)30)8-10-21(17)31-22/h2-6,8,10,13,18,20,22,27H,7,9,11-12,14-15H2,1H3,(H2,24,29,30)/t18-,20+,22?/m0/s1
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PC cid
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Article
PubMed
3.30n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50174950
PNG
(6-Sulfamoyl-chroman-2-carboxylic acid [(S)-2-((S)-...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1CCc2cc(ccc2O1)S(N)(=O)=O
Show InChI InChI=1S/C23H29N3O5S/c1-25(20(16-5-3-2-4-6-16)15-26-12-11-18(27)14-26)23(28)22-9-7-17-13-19(32(24,29)30)8-10-21(17)31-22/h2-6,8,10,13,18,20,22,27H,7,9,11-12,14-15H2,1H3,(H2,24,29,30)/t18-,20+,22?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against CYP2D6


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair