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BDBM48941 4-hydroxy-6-(4-isopropylphenyl)-2-piperidin-1-ylpyrimidine-5-carbonitrile::4-keto-6-p-cumenyl-2-piperidino-1H-pyrimidine-5-carbonitrile::4-oxidanylidene-2-piperidin-1-yl-6-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carbonitrile::4-oxo-2-(1-piperidinyl)-6-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carbonitrile::4-oxo-2-piperidin-1-yl-6-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carbonitrile::MLS000044630::SMR000022574::cid_891760

SMILES: CC(C)c1ccc(cc1)-c1nc([nH]c(=O)c1C#N)N1CCCCC1

InChI Key: InChIKey=RPEQRRUOKCBHNN-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 48941   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48941
PNG
(4-hydroxy-6-(4-isopropylphenyl)-2-piperidin-1-ylpy...)
Show SMILES CC(C)c1ccc(cc1)-c1nc([nH]c(=O)c1C#N)N1CCCCC1
Show InChI InChI=1S/C19H22N4O/c1-13(2)14-6-8-15(9-7-14)17-16(12-20)18(24)22-19(21-17)23-10-4-3-5-11-23/h6-9,13H,3-5,10-11H2,1-2H3,(H,21,22,24)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 0.00175n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM48941
PNG
(4-hydroxy-6-(4-isopropylphenyl)-2-piperidin-1-ylpy...)
Show SMILES CC(C)c1ccc(cc1)-c1nc([nH]c(=O)c1C#N)N1CCCCC1
Show InChI InChI=1S/C19H22N4O/c1-13(2)14-6-8-15(9-7-14)17-16(12-20)18(24)22-19(21-17)23-10-4-3-5-11-23/h6-9,13H,3-5,10-11H2,1-2H3,(H,21,22,24)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 0.0000236n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MW2FJG
More data for this
Ligand-Target Pair