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BDBM50001689 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)-1H-indole-2-carbonitrile::4-[3-(4-Benzhydryl-piperazin-1-yl)-2-hydroxy-propoxy]-1H-indole-2-carbonitrile::CHEMBL314639::SDZ-201106

SMILES: OC(COc1cccc2[nH]c(cc12)C#N)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=BYBYHCOEAFHGJL-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50001689   
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50001689
PNG
(4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy...)
Show SMILES OC(COc1cccc2[nH]c(cc12)C#N)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c30-19-24-18-26-27(31-24)12-7-13-28(26)35-21-25(34)20-32-14-16-33(17-15-32)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,25,29,31,34H,14-17,20-21H2
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PC cid
PC sid
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Article
PubMed
57n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter


Bioorg Med Chem Lett 18: 5391-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.046
BindingDB Entry DOI: 10.7270/Q2FB52RP
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus-RAT)
BDBM50001689
PNG
(4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy...)
Show SMILES OC(COc1cccc2[nH]c(cc12)C#N)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c30-19-24-18-26-27(31-24)12-7-13-28(26)35-21-25(34)20-32-14-16-33(17-15-32)29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,18,25,29,31,34H,14-17,20-21H2
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Article
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Calcium channel binding activity against dihydropyridine receptor in rat brain cortical membranes


J Med Chem 35: 4442-9 (1992)


Article DOI: 10.1021/jm00101a022
BindingDB Entry DOI: 10.7270/Q2RJ4MQB
More data for this
Ligand-Target Pair