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BDBM50091637 5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo[d]imidazol-2(3H)-one::5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1,3-dihydro-benzoimidazol-2-one::CHEMBL117260

SMILES: O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=JJEXWPHPFZLTCU-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50091637   
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
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091637
PNG
(5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2C NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091637
PNG
(5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
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PubMed
n/an/a 5.30n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50091637
PNG
(5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
PDB

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n/an/a 2.60E+3n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride at Dopamine receptor D2 in brain striata (n=1)


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091637
PNG
(5-(3-(4-benzylpiperidin-1-yl)prop-1-ynyl)-1H-benzo...)
Show SMILES O=c1[nH]c2ccc(cc2[nH]1)C#CCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2A NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair