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BDBM50068838 1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyl]-amino}-propyl)-piperidine-4-carboxylic acid ethyl ester::CHEMBL146983

SMILES: CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1

InChI Key: InChIKey=XZUMKPXXORJZDG-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50068838   
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))
BDBM50068838
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
Show InChI InChI=1S/C27H37N5O6/c1-5-38-27(35)20-11-15-31(16-12-20)14-6-13-29-26(34)23-18(3)30-17(2)22(25(33)28-4)24(23)19-7-9-21(10-8-19)32(36)37/h7-10,20,22,24H,5-6,11-16H2,1-4H3,(H,28,33)(H,29,34)
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Article
PubMed
2.51E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068838
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
Show InChI InChI=1S/C27H37N5O6/c1-5-38-27(35)20-11-15-31(16-12-20)14-6-13-29-26(34)23-18(3)30-17(2)22(25(33)28-4)24(23)19-7-9-21(10-8-19)32(36)37/h7-10,20,22,24H,5-6,11-16H2,1-4H3,(H,28,33)(H,29,34)
UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
3.95E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068838
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
Show InChI InChI=1S/C27H37N5O6/c1-5-38-27(35)20-11-15-31(16-12-20)14-6-13-29-26(34)23-18(3)30-17(2)22(25(33)28-4)24(23)19-7-9-21(10-8-19)32(36)37/h7-10,20,22,24H,5-6,11-16H2,1-4H3,(H,28,33)(H,29,34)
PDB

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Article
PubMed
4.50E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair