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BDBM50030617 2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicarboxylic acid 3-amide 5-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide}::CHEMBL122671

SMILES: Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O

InChI Key: InChIKey=XAFOTAKURAOBIE-UHFFFAOYSA-N

Data: 7 KI

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

Found 7 hits for monomerid = 50030617   
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))
BDBM50030617
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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1.30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50030617
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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PC sid
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>10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030617
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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148n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50030617
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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165n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50030617
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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275n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50030617
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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346n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50030617
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-pyridine-3,5-dicar...)
Show SMILES Cc1nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c(-c2ccc(cc2)[N+]([O-])=O)c1C(N)=O
Show InChI InChI=1S/C35H37N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
407n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair