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BDBM50074012 6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-naphthyl)ethyl]-4-oxospiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]::CHEMBL101579

SMILES: Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1

InChI Key: InChIKey=QYNFZZOONQJAIB-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50074012   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50074012
PNG
(6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-n...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C29H30N4O4S/c1-32-19-28(30-20-32)38(35,36)31-23-9-10-27-25(17-23)26(34)18-29(37-27)12-15-33(16-13-29)14-11-22-7-4-6-21-5-2-3-8-24(21)22/h2-10,17,19-20,31H,11-16,18H2,1H3
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
8n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1C adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50074012
PNG
(6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-n...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C29H30N4O4S/c1-32-19-28(30-20-32)38(35,36)31-23-9-10-27-25(17-23)26(34)18-29(37-27)12-15-33(16-13-29)14-11-22-7-4-6-21-5-2-3-8-24(21)22/h2-10,17,19-20,31H,11-16,18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
24n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor expressed in HEK cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50074012
PNG
(6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-n...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
Show InChI InChI=1S/C29H30N4O4S/c1-32-19-28(30-20-32)38(35,36)31-23-9-10-27-25(17-23)26(34)18-29(37-27)12-15-33(16-13-29)14-11-22-7-4-6-21-5-2-3-8-24(21)22/h2-10,17,19-20,31H,11-16,18H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
53n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor expressed in LM cells


Bioorg Med Chem Lett 9: 291-4 (1999)


BindingDB Entry DOI: 10.7270/Q20G3JBP
More data for this
Ligand-Target Pair