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SMILES: OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2ccccc12

InChI Key: InChIKey=VYHLLXUPTFDIMK-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50156882   
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
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50156882
PNG
(2-(2-(4-(1-((5-chlorothiophen-2-yl)methyl)-1H-indo...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2ccccc12
Show InChI InChI=1S/C27H27ClN2O3S/c28-26-10-9-20(34-26)17-30-18-23(21-5-1-3-7-24(21)30)19-11-13-29(14-12-19)15-16-33-25-8-4-2-6-22(25)27(31)32/h1-10,18-19H,11-17H2,(H,31,32)
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PubMed
n/an/a 295n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration against histamine-H1 receptor


Bioorg Med Chem Lett 15: 1165-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.008
BindingDB Entry DOI: 10.7270/Q2HX1C5R
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50156882
PNG
(2-(2-(4-(1-((5-chlorothiophen-2-yl)methyl)-1H-indo...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2ccccc12
Show InChI InChI=1S/C27H27ClN2O3S/c28-26-10-9-20(34-26)17-30-18-23(21-5-1-3-7-24(21)30)19-11-13-29(14-12-19)15-16-33-25-8-4-2-6-22(25)27(31)32/h1-10,18-19H,11-17H2,(H,31,32)
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PubMed
n/an/a 1.86E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50156882
PNG
(2-(2-(4-(1-((5-chlorothiophen-2-yl)methyl)-1H-indo...)
Show SMILES OC(=O)c1ccccc1OCCN1CCC(CC1)c1cn(Cc2ccc(Cl)s2)c2ccccc12
Show InChI InChI=1S/C27H27ClN2O3S/c28-26-10-9-20(34-26)17-30-18-23(21-5-1-3-7-24(21)30)19-11-13-29(14-12-19)15-16-33-25-8-4-2-6-22(25)27(31)32/h1-10,18-19H,11-17H2,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair