BindingDB logo
myBDB logout

PubMed code 10522703

Compile data set for download or QSAR
Found 103 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PubMed
 0.330n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1D adrenergic receptor (h alpha-1d)

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50366618
PNG
(CHEMBL448620 | SNAP-5089)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
Show InChI InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,32-33H,10,19-24H2,1-3H3,(H,37,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.350n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 0.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
 0.550n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1B adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PubMed
 0.580n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1A adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081820
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C31H40N6O5/c1-21-27(30(33)38)28(24-8-10-25(11-9-24)37(40)41)29(26(35-21)20-42-19-14-32)31(39)34-15-5-16-36-17-12-23(13-18-36)22-6-3-2-4-7-22/h2-4,6-11,23,27-28H,5,12-20,32H2,1H3,(H2,33,38)(H,34,39)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.40n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081830
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=C(C(C(C(N)=O)C(COCCN)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-35(33(27-14-16-30(17-15-27)44(47)48)34(36(40)45)32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.70n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50160146
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.90n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)		BDBM79180
PNG
(2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methy...)
Show SMILES CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|
Show InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,16-17H,4,9-11,22H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 2n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against rat L-type calcium channel

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081831
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N=C1COCCN)c1ccc(cc1)[N+]([O-])=O |c:38,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(35(29-16-18-32(19-17-29)46(49)50)37(38(47)42-4-2)34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35,37H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081833
PNG
(1-(3-{[2-(2-Amino-ethoxymethyl)-5-carbamoyl-6-meth...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
Show InChI InChI=1S/C33H42N6O7/c1-22-27(30(35)40)28(23-9-11-25(12-10-23)39(43)44)29(26(37-22)21-46-20-15-34)31(41)36-16-6-17-38-18-13-33(14-19-38,32(42)45-2)24-7-4-3-5-8-24/h3-5,7-12,27-28H,6,13-21,34H2,1-2H3,(H2,35,40)(H,36,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 3.20n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081824
PNG
(2-(2-Azido-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H44N8O5/c1-2-31-34(36(39)47)33(27-14-16-30(17-15-27)46(49)50)35(32(43-31)26-51-25-21-42-44-40)37(48)41-20-9-22-45-23-18-38(19-24-45,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26H2,1H3,(H2,39,47)(H,41,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.30n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1A adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081829
PNG
(2-(3-Amino-propyl)-6-methyl-4-(4-nitro-phenyl)-1,4...)
Show SMILES CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1|
Show InChI InChI=1S/C37H44N6O4/c1-26-32(35(39)44)33(27-15-17-30(18-16-27)43(46)47)34(31(41-26)14-8-21-38)36(45)40-22-9-23-42-24-19-37(20-25-42,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-7,10-13,15-18,32-33H,8-9,14,19-25,38H2,1H3,(H2,39,44)(H,40,45)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.80n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081819
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-propyl-1,4-dihydro-py...)
Show SMILES CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
Show InChI InChI=1S/C40H49N5O4/c1-4-14-34-37(35(29-19-21-32(22-20-29)45(48)49)36(33(5-2)43-34)38(46)41-6-3)39(47)42-25-13-26-44-27-23-40(24-28-44,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-22,35-36H,4-6,13-14,23-28H2,1-3H3,(H,41,46)(H,42,47)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.80n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081825
PNG
(2-(4-Amino-butyl)-6-methyl-4-(4-nitro-phenyl)-1,4-...)
Show SMILES CC1=NC(CCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C38H46N6O4/c1-27-33(36(40)45)34(28-16-18-31(19-17-28)44(47)48)35(32(42-27)15-8-9-22-39)37(46)41-23-10-24-43-25-20-38(21-26-43,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,33-34H,8-10,15,20-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.40n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081826
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(38(47)42-4-2)35(29-16-18-32(19-17-29)46(49)50)37(34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35-36H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081823
PNG
(2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...)
Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.80n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081817
PNG
(2-Ethyl-6-(4-methoxy-butyl)-4-(4-nitro-phenyl)-1,4...)
Show SMILES CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C40H49N5O5/c1-3-33-36(38(41)46)35(29-18-20-32(21-19-29)45(48)49)37(34(43-33)17-10-11-28-50-2)39(47)42-24-12-25-44-26-22-40(23-27-44,30-13-6-4-7-14-30)31-15-8-5-9-16-31/h4-9,13-16,18-21,35-36H,3,10-12,17,22-28H2,1-2H3,(H2,41,46)(H,42,47)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 5.10n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 5.90n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 5.90n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 5.90n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2B adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081822
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES COc1ccc(cc1)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:19,t:26|
Show InChI InChI=1S/C38H46N6O6/c1-26-33(36(40)45)34(27-9-13-30(14-10-27)44(47)48)35(32(42-26)25-50-24-19-39)37(46)41-20-6-21-43-22-17-38(18-23-43,28-7-4-3-5-8-28)29-11-15-31(49-2)16-12-29/h3-5,7-16,33-34H,6,17-25,39H2,1-2H3,(H2,40,45)(H,41,46)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 6.30n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081828
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-(2,2,2-trifluoro-etho...)
Show SMILES CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H42F3N5O5/c1-2-30-33(35(42)47)32(26-14-16-29(17-15-26)46(49)50)34(31(44-30)24-51-25-38(39,40)41)36(48)43-20-9-21-45-22-18-37(19-23-45,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,32-33H,2,9,18-25H2,1H3,(H2,42,47)(H,43,48)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 12n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081820
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C31H40N6O5/c1-21-27(30(33)38)28(24-8-10-25(11-9-24)37(40)41)29(26(35-21)20-42-19-14-32)31(39)34-15-5-16-36-17-12-23(13-18-36)22-6-3-2-4-7-22/h2-4,6-11,23,27-28H,5,12-20,32H2,1H3,(H2,33,38)(H,34,39)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 18n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081821
PNG
(2-Ethyl-6-methoxymethyl-4-(4-nitro-phenyl)-1,4-dih...)
Show SMILES CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
Show InChI InChI=1S/C37H43N5O5/c1-3-30-33(35(38)43)32(26-15-17-29(18-16-26)42(45)46)34(31(40-30)25-47-2)36(44)39-21-10-22-41-23-19-37(20-24-41,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,32-33H,3,10,19-25H2,1-2H3,(H2,38,43)(H,39,44)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 20n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081830
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=C(C(C(C(N)=O)C(COCCN)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-35(33(27-14-16-30(17-15-27)44(47)48)34(36(40)45)32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 36n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081824
PNG
(2-(2-Azido-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H44N8O5/c1-2-31-34(36(39)47)33(27-14-16-30(17-15-27)46(49)50)35(32(43-31)26-51-25-21-42-44-40)37(48)41-20-9-22-45-23-18-38(19-24-45,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26H2,1H3,(H2,39,47)(H,41,48)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 98n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1B adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50081817
PNG
(2-Ethyl-6-(4-methoxy-butyl)-4-(4-nitro-phenyl)-1,4...)
Show SMILES CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C40H49N5O5/c1-3-33-36(38(41)46)35(29-18-20-32(21-19-29)45(48)49)37(34(43-33)17-10-11-28-50-2)39(47)42-24-12-25-44-26-22-40(23-27-44,30-13-6-4-7-14-30)31-15-8-5-9-16-31/h4-9,13-16,18-21,35-36H,3,10-12,17,22-28H2,1-2H3,(H2,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 99n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081827
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-pentyl-1,4-dihydro-py...)
Show SMILES CCCCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:16,t:5|
Show InChI InChI=1S/C42H53N5O4/c1-4-7-10-20-36-39(37(31-21-23-34(24-22-31)47(50)51)38(35(5-2)45-36)40(48)43-6-3)41(49)44-27-15-28-46-29-25-42(26-30-46,32-16-11-8-12-17-32)33-18-13-9-14-19-33/h8-9,11-14,16-19,21-24,37-38H,4-7,10,15,20,25-30H2,1-3H3,(H,43,48)(H,44,49)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 127n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081827
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-pentyl-1,4-dihydro-py...)
Show SMILES CCCCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:16,t:5|
Show InChI InChI=1S/C42H53N5O4/c1-4-7-10-20-36-39(37(31-21-23-34(24-22-31)47(50)51)38(35(5-2)45-36)40(48)43-6-3)41(49)44-27-15-28-46-29-25-42(26-30-46,32-16-11-8-12-17-32)33-18-13-9-14-19-33/h8-9,11-14,16-19,21-24,37-38H,4-7,10,15,20,25-30H2,1-3H3,(H,43,48)(H,44,49)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 127n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081820
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C31H40N6O5/c1-21-27(30(33)38)28(24-8-10-25(11-9-24)37(40)41)29(26(35-21)20-42-19-14-32)31(39)34-15-5-16-36-17-12-23(13-18-36)22-6-3-2-4-7-22/h2-4,6-11,23,27-28H,5,12-20,32H2,1H3,(H2,33,38)(H,34,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 166n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081828
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-(2,2,2-trifluoro-etho...)
Show SMILES CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H42F3N5O5/c1-2-30-33(35(42)47)32(26-14-16-29(17-15-26)46(49)50)34(31(44-30)24-51-25-38(39,40)41)36(48)43-20-9-21-45-22-18-37(19-23-45,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,32-33H,2,9,18-25H2,1H3,(H2,42,47)(H,43,48)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 177n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081829
PNG
(2-(3-Amino-propyl)-6-methyl-4-(4-nitro-phenyl)-1,4...)
Show SMILES CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1|
Show InChI InChI=1S/C37H44N6O4/c1-26-32(35(39)44)33(27-15-17-30(18-16-27)43(46)47)34(31(41-26)14-8-21-38)36(45)40-22-9-23-42-24-19-37(20-25-42,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-7,10-13,15-18,32-33H,8-9,14,19-25,38H2,1H3,(H2,39,44)(H,40,45)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 181n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081819
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-propyl-1,4-dihydro-py...)
Show SMILES CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
Show InChI InChI=1S/C40H49N5O4/c1-4-14-34-37(35(29-19-21-32(22-20-29)45(48)49)36(33(5-2)43-34)38(46)41-6-3)39(47)42-25-13-26-44-27-23-40(24-28-44,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-22,35-36H,4-6,13-14,23-28H2,1-3H3,(H,41,46)(H,42,47)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 181n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081821
PNG
(2-Ethyl-6-methoxymethyl-4-(4-nitro-phenyl)-1,4-dih...)
Show SMILES CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
Show InChI InChI=1S/C37H43N5O5/c1-3-30-33(35(38)43)32(26-15-17-29(18-16-26)42(45)46)34(31(40-30)25-47-2)36(44)39-21-10-22-41-23-19-37(20-24-41,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,32-33H,3,10,19-25H2,1-2H3,(H2,38,43)(H,39,44)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 192n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 204n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50366618
PNG
(CHEMBL448620 | SNAP-5089)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
Show InChI InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,32-33H,10,19-24H2,1-3H3,(H,37,41)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 220n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50081824
PNG
(2-(2-Azido-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H44N8O5/c1-2-31-34(36(39)47)33(27-14-16-30(17-15-27)46(49)50)35(32(43-31)26-51-25-21-42-44-40)37(48)41-20-9-22-45-23-18-38(19-24-45,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26H2,1H3,(H2,39,47)(H,41,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 224n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2C adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50081824
PNG
(2-(2-Azido-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H44N8O5/c1-2-31-34(36(39)47)33(27-14-16-30(17-15-27)46(49)50)35(32(43-31)26-51-25-21-42-44-40)37(48)41-20-9-22-45-23-18-38(19-24-45,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26H2,1H3,(H2,39,47)(H,41,48)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 229n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2B adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 236n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 236n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50081817
PNG
(2-Ethyl-6-(4-methoxy-butyl)-4-(4-nitro-phenyl)-1,4...)
Show SMILES CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C40H49N5O5/c1-3-33-36(38(41)46)35(29-18-20-32(21-19-29)45(48)49)37(34(43-33)17-10-11-28-50-2)39(47)42-24-12-25-44-26-22-40(23-27-44,30-13-6-4-7-14-30)31-15-8-5-9-16-31/h4-9,13-16,18-21,35-36H,3,10-12,17,22-28H2,1-2H3,(H2,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 237n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081830
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=C(C(C(C(N)=O)C(COCCN)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-35(33(27-14-16-30(17-15-27)44(47)48)34(36(40)45)32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 246n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081831
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N=C1COCCN)c1ccc(cc1)[N+]([O-])=O |c:38,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(35(29-16-18-32(19-17-29)46(49)50)37(38(47)42-4-2)34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35,37H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 254n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081825
PNG
(2-(4-Amino-butyl)-6-methyl-4-(4-nitro-phenyl)-1,4-...)
Show SMILES CC1=NC(CCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C38H46N6O4/c1-27-33(36(40)45)34(28-16-18-31(19-17-28)44(47)48)35(32(42-27)15-8-9-22-39)37(46)41-23-10-24-43-25-20-38(21-26-43,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,33-34H,8-10,15,20-26,39H2,1H3,(H2,40,45)(H,41,46)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 269n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50081823
PNG
(2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...)
Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 286n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50081821
PNG
(2-Ethyl-6-methoxymethyl-4-(4-nitro-phenyl)-1,4-dih...)
Show SMILES CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
Show InChI InChI=1S/C37H43N5O5/c1-3-30-33(35(38)43)32(26-15-17-29(18-16-26)42(45)46)34(31(40-30)25-47-2)36(44)39-21-10-22-41-23-19-37(20-24-41,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,32-33H,3,10,19-25H2,1-2H3,(H2,38,43)(H,39,44)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 288n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081824
PNG
(2-(2-Azido-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H44N8O5/c1-2-31-34(36(39)47)33(27-14-16-30(17-15-27)46(49)50)35(32(43-31)26-51-25-21-42-44-40)37(48)41-20-9-22-45-23-18-38(19-24-45,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26H2,1H3,(H2,39,47)(H,41,48)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 309n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1D adrenergic receptor (h alpha-1d)

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081825
PNG
(2-(4-Amino-butyl)-6-methyl-4-(4-nitro-phenyl)-1,4-...)
Show SMILES CC1=NC(CCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:8,t:1|
Show InChI InChI=1S/C38H46N6O4/c1-27-33(36(40)45)34(28-16-18-31(19-17-28)44(47)48)35(32(42-27)15-8-9-22-39)37(46)41-23-10-24-43-25-20-38(21-26-43,29-11-4-2-5-12-29)30-13-6-3-7-14-30/h2-7,11-14,16-19,33-34H,8-10,15,20-26,39H2,1H3,(H2,40,45)(H,41,46)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 314n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50160146
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 324n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 326n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081817
PNG
(2-Ethyl-6-(4-methoxy-butyl)-4-(4-nitro-phenyl)-1,4...)
Show SMILES CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C40H49N5O5/c1-3-33-36(38(41)46)35(29-18-20-32(21-19-29)45(48)49)37(34(43-33)17-10-11-28-50-2)39(47)42-24-12-25-44-26-22-40(23-27-44,30-13-6-4-7-14-30)31-15-8-5-9-16-31/h4-9,13-16,18-21,35-36H,3,10-12,17,22-28H2,1-2H3,(H2,41,46)(H,42,47)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 347n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50081817
PNG
(2-Ethyl-6-(4-methoxy-butyl)-4-(4-nitro-phenyl)-1,4...)
Show SMILES CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C40H49N5O5/c1-3-33-36(38(41)46)35(29-18-20-32(21-19-29)45(48)49)37(34(43-33)17-10-11-28-50-2)39(47)42-24-12-25-44-26-22-40(23-27-44,30-13-6-4-7-14-30)31-15-8-5-9-16-31/h4-9,13-16,18-21,35-36H,3,10-12,17,22-28H2,1-2H3,(H2,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 355n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50160146
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 367n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50160146
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 369n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081819
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-propyl-1,4-dihydro-py...)
Show SMILES CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
Show InChI InChI=1S/C40H49N5O4/c1-4-14-34-37(35(29-19-21-32(22-20-29)45(48)49)36(33(5-2)43-34)38(46)41-6-3)39(47)42-25-13-26-44-27-23-40(24-28-44,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-22,35-36H,4-6,13-14,23-28H2,1-3H3,(H,41,46)(H,42,47)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 380n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081827
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-pentyl-1,4-dihydro-py...)
Show SMILES CCCCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:16,t:5|
Show InChI InChI=1S/C42H53N5O4/c1-4-7-10-20-36-39(37(31-21-23-34(24-22-31)47(50)51)38(35(5-2)45-36)40(48)43-6-3)41(49)44-27-15-28-46-29-25-42(26-30-46,32-16-11-8-12-17-32)33-18-13-9-14-19-33/h8-9,11-14,16-19,21-24,37-38H,4-7,10,15,20,25-30H2,1-3H3,(H,43,48)(H,44,49)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 380n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50160146
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 398n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 403n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081828
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-(2,2,2-trifluoro-etho...)
Show SMILES CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H42F3N5O5/c1-2-30-33(35(42)47)32(26-14-16-29(17-15-26)46(49)50)34(31(44-30)24-51-25-38(39,40)41)36(48)43-20-9-21-45-22-18-37(19-23-45,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,32-33H,2,9,18-25H2,1H3,(H2,42,47)(H,43,48)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 417n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50160146
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 420n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081829
PNG
(2-(3-Amino-propyl)-6-methyl-4-(4-nitro-phenyl)-1,4...)
Show SMILES CC1=NC(CCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:1|
Show InChI InChI=1S/C37H44N6O4/c1-26-32(35(39)44)33(27-15-17-30(18-16-27)43(46)47)34(31(41-26)14-8-21-38)36(45)40-22-9-23-42-24-19-37(20-25-42,28-10-4-2-5-11-28)29-12-6-3-7-13-29/h2-7,10-13,15-18,32-33H,8-9,14,19-25,38H2,1H3,(H2,39,44)(H,40,45)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 433n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50081819
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-propyl-1,4-dihydro-py...)
Show SMILES CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
Show InChI InChI=1S/C40H49N5O4/c1-4-14-34-37(35(29-19-21-32(22-20-29)45(48)49)36(33(5-2)43-34)38(46)41-6-3)39(47)42-25-13-26-44-27-23-40(24-28-44,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-22,35-36H,4-6,13-14,23-28H2,1-3H3,(H,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 442n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081823
PNG
(2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...)
Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 447n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081831
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(CC)N=C1COCCN)c1ccc(cc1)[N+]([O-])=O |c:38,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(35(29-16-18-32(19-17-29)46(49)50)37(38(47)42-4-2)34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35,37H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 447n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081817
PNG
(2-Ethyl-6-(4-methoxy-butyl)-4-(4-nitro-phenyl)-1,4...)
Show SMILES CCC1=NC(CCCCOC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C40H49N5O5/c1-3-33-36(38(41)46)35(29-18-20-32(21-19-29)45(48)49)37(34(43-33)17-10-11-28-50-2)39(47)42-24-12-25-44-26-22-40(23-27-44,30-13-6-4-7-14-30)31-15-8-5-9-16-31/h4-9,13-16,18-21,35-36H,3,10-12,17,22-28H2,1-2H3,(H2,41,46)(H,42,47)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 454n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50081832
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CN(C)CC1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
Show InChI InChI=1S/C34H47N7O5/c1-24-29(32(36)42)30(25-10-12-27(13-11-25)41(44)45)31(28(38-24)22-46-21-16-35)33(43)37-17-7-18-40-19-14-34(15-20-40,23-39(2)3)26-8-5-4-6-9-26/h4-6,8-13,29-30H,7,14-23,35H2,1-3H3,(H2,36,42)(H,37,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 455n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50081824
PNG
(2-(2-Azido-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN=[N+]=[N-])=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H44N8O5/c1-2-31-34(36(39)47)33(27-14-16-30(17-15-27)46(49)50)35(32(43-31)26-51-25-21-42-44-40)37(48)41-20-9-22-45-23-18-38(19-24-45,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26H2,1H3,(H2,39,47)(H,41,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 468n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50081826
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(38(47)42-4-2)35(29-16-18-32(19-17-29)46(49)50)37(34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35-36H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 473n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081822
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES COc1ccc(cc1)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:19,t:26|
Show InChI InChI=1S/C38H46N6O6/c1-26-33(36(40)45)34(27-9-13-30(14-10-27)44(47)48)35(32(42-26)25-50-24-19-39)37(46)41-20-6-21-43-22-17-38(18-23-43,28-7-4-3-5-8-28)29-11-15-31(49-2)16-12-29/h3-5,7-16,33-34H,6,17-25,39H2,1-2H3,(H2,40,45)(H,41,46)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 479n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50081819
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-propyl-1,4-dihydro-py...)
Show SMILES CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
Show InChI InChI=1S/C40H49N5O4/c1-4-14-34-37(35(29-19-21-32(22-20-29)45(48)49)36(33(5-2)43-34)38(46)41-6-3)39(47)42-25-13-26-44-27-23-40(24-28-44,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-22,35-36H,4-6,13-14,23-28H2,1-3H3,(H,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 507n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50081821
PNG
(2-Ethyl-6-methoxymethyl-4-(4-nitro-phenyl)-1,4-dih...)
Show SMILES CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
Show InChI InChI=1S/C37H43N5O5/c1-3-30-33(35(38)43)32(26-15-17-29(18-16-26)42(45)46)34(31(40-30)25-47-2)36(44)39-21-10-22-41-23-19-37(20-24-41,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,32-33H,3,10,19-25H2,1-2H3,(H2,38,43)(H,39,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 513n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 514n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50366618
PNG
(CHEMBL448620 | SNAP-5089)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
Show InChI InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,32-33H,10,19-24H2,1-3H3,(H,37,41)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 540n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50081821
PNG
(2-Ethyl-6-methoxymethyl-4-(4-nitro-phenyl)-1,4-dih...)
Show SMILES CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
Show InChI InChI=1S/C37H43N5O5/c1-3-30-33(35(38)43)32(26-15-17-29(18-16-26)42(45)46)34(31(40-30)25-47-2)36(44)39-21-10-22-41-23-19-37(20-24-41,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,32-33H,3,10,19-25H2,1-2H3,(H2,38,43)(H,39,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 575n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)		BDBM50366618
PNG
(CHEMBL448620 | SNAP-5089)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
Show InChI InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,32-33H,10,19-24H2,1-3H3,(H,37,41)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 670n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against rat L-type calcium channel

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081821
PNG
(2-Ethyl-6-methoxymethyl-4-(4-nitro-phenyl)-1,4-dih...)
Show SMILES CCC1=NC(COC)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:7,t:2|
Show InChI InChI=1S/C37H43N5O5/c1-3-30-33(35(38)43)32(26-15-17-29(18-16-26)42(45)46)34(31(40-30)25-47-2)36(44)39-21-10-22-41-23-19-37(20-24-41,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,32-33H,3,10,19-25H2,1-2H3,(H2,38,43)(H,39,44)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 729n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50081828
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-(2,2,2-trifluoro-etho...)
Show SMILES CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H42F3N5O5/c1-2-30-33(35(42)47)32(26-14-16-29(17-15-26)46(49)50)34(31(44-30)24-51-25-38(39,40)41)36(48)43-20-9-21-45-22-18-37(19-23-45,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,32-33H,2,9,18-25H2,1H3,(H2,42,47)(H,43,48)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 753n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081826
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(38(47)42-4-2)35(29-16-18-32(19-17-29)46(49)50)37(34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35-36H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 785n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50081823
PNG
(2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...)
Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 813n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081833
PNG
(1-(3-{[2-(2-Amino-ethoxymethyl)-5-carbamoyl-6-meth...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
Show InChI InChI=1S/C33H42N6O7/c1-22-27(30(35)40)28(23-9-11-25(12-10-23)39(43)44)29(26(37-22)21-46-20-15-34)31(41)36-16-6-17-38-18-13-33(14-19-38,32(42)45-2)24-7-4-3-5-8-24/h3-5,7-12,27-28H,6,13-21,34H2,1-2H3,(H2,35,40)(H,36,41)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 840n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50081828
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-(2,2,2-trifluoro-etho...)
Show SMILES CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H42F3N5O5/c1-2-30-33(35(42)47)32(26-14-16-29(17-15-26)46(49)50)34(31(44-30)24-51-25-38(39,40)41)36(48)43-20-9-21-45-22-18-37(19-23-45,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,32-33H,2,9,18-25H2,1H3,(H2,42,47)(H,43,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 884n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 893n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 893n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 902n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50366618
PNG
(CHEMBL448620 | SNAP-5089)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
Show InChI InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,32-33H,10,19-24H2,1-3H3,(H,37,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 912n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2c adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081823
PNG
(2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...)
Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 948n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50081819
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-propyl-1,4-dihydro-py...)
Show SMILES CCCC1=C(C(C(C(=O)NCC)C(CC)=N1)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:14,t:3|
Show InChI InChI=1S/C40H49N5O4/c1-4-14-34-37(35(29-19-21-32(22-20-29)45(48)49)36(33(5-2)43-34)38(46)41-6-3)39(47)42-25-13-26-44-27-23-40(24-28-44,30-15-9-7-10-16-30)31-17-11-8-12-18-31/h7-12,15-22,35-36H,4-6,13-14,23-28H2,1-3H3,(H,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 955n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)		BDBM50160146
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H41N5O4/c1-25-31(34(37)42)33(27-15-17-30(18-16-27)41(44)45)32(26(2)39-25)35(43)38-21-9-10-22-40-23-19-36(20-24-40,28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,31,33H,9-10,19-24H2,1-2H3,(H2,37,42)(H,38,43)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against rat L-type calcium channel

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50366618
PNG
(CHEMBL448620 | SNAP-5089)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
Show InChI InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,32-33H,10,19-24H2,1-3H3,(H,37,41)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.09E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50081823
PNG
(2-(3-Amino-propoxymethyl)-6-ethyl-4-(4-nitro-pheny...)
Show SMILES CCC1=NC(COCCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:10,t:2|
Show InChI InChI=1S/C39H48N6O5/c1-2-32-35(37(41)46)34(28-15-17-31(18-16-28)45(48)49)36(33(43-32)27-50-26-9-21-40)38(47)42-22-10-23-44-24-19-39(20-25-44,29-11-5-3-6-12-29)30-13-7-4-8-14-30/h3-8,11-18,34-35H,2,9-10,19-27,40H2,1H3,(H2,41,46)(H,42,47)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.13E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081826
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(38(47)42-4-2)35(29-16-18-32(19-17-29)46(49)50)37(34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35-36H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.30E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081833
PNG
(1-(3-{[2-(2-Amino-ethoxymethyl)-5-carbamoyl-6-meth...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
Show InChI InChI=1S/C33H42N6O7/c1-22-27(30(35)40)28(23-9-11-25(12-10-23)39(43)44)29(26(37-22)21-46-20-15-34)31(41)36-16-6-17-38-18-13-33(14-19-38,32(42)45-2)24-7-4-3-5-8-24/h3-5,7-12,27-28H,6,13-21,34H2,1-2H3,(H2,35,40)(H,36,41)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 1.46E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50081826
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(38(47)42-4-2)35(29-16-18-32(19-17-29)46(49)50)37(34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35-36H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081822
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES COc1ccc(cc1)C1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:19,t:26|
Show InChI InChI=1S/C38H46N6O6/c1-26-33(36(40)45)34(27-9-13-30(14-10-27)44(47)48)35(32(42-26)25-50-24-19-39)37(46)41-20-6-21-43-22-17-38(18-23-43,28-7-4-3-5-8-28)29-11-15-31(49-2)16-12-29/h3-5,7-16,33-34H,6,17-25,39H2,1-2H3,(H2,40,45)(H,41,46)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.07E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50081828
PNG
(2-Ethyl-4-(4-nitro-phenyl)-6-(2,2,2-trifluoro-etho...)
Show SMILES CCC1=NC(COCC(F)(F)F)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:11,t:2|
Show InChI InChI=1S/C38H42F3N5O5/c1-2-30-33(35(42)47)32(26-14-16-29(17-15-26)46(49)50)34(31(44-30)24-51-25-38(39,40)41)36(48)43-20-9-21-45-22-18-37(19-23-45,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,32-33H,2,9,18-25H2,1H3,(H2,42,47)(H,43,48)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.31E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM79180
PNG
(2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methy...)
Show SMILES CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|
Show InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,16-17H,4,9-11,22H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 2.34E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50366618
PNG
(CHEMBL448620 | SNAP-5089)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
Show InChI InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,32-33H,10,19-24H2,1-3H3,(H,37,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.42E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2a adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50081826
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(COCCN)N=C1CC)c1ccc(cc1)[N+]([O-])=O |c:41,t:34|
Show InChI InChI=1S/C40H50N6O5/c1-3-33-36(38(47)42-4-2)35(29-16-18-32(19-17-29)46(49)50)37(34(44-33)28-51-27-22-41)39(48)43-23-11-24-45-25-20-40(21-26-45,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,35-36H,3-4,11,20-28,41H2,1-2H3,(H,42,47)(H,43,48)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.54E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM79180
PNG
(2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methy...)
Show SMILES CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|
Show InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,16-17H,4,9-11,22H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 5.37E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM79180
PNG
(2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methy...)
Show SMILES CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|
Show InChI InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,16-17H,4,9-11,22H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PubMed
 7.94E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50081832
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CN(C)CC1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
Show InChI InChI=1S/C34H47N7O5/c1-24-29(32(36)42)30(25-10-12-27(13-11-25)41(44)45)31(28(38-24)22-46-21-16-35)33(43)37-17-7-18-40-19-14-34(15-20-40,23-39(2)3)26-8-5-4-6-9-26/h4-6,8-13,29-30H,7,14-23,35H2,1-3H3,(H2,36,42)(H,37,43)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.75E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50081832
PNG
(2-(2-Amino-ethoxymethyl)-6-methyl-4-(4-nitro-pheny...)
Show SMILES CN(C)CC1(CCN(CCCNC(=O)C2=C(COCCN)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:21|
Show InChI InChI=1S/C34H47N7O5/c1-24-29(32(36)42)30(25-10-12-27(13-11-25)41(44)45)31(28(38-24)22-46-21-16-35)33(43)37-17-7-18-40-19-14-34(15-20-40,23-39(2)3)26-8-5-4-6-9-26/h4-6,8-13,29-30H,7,14-23,35H2,1-3H3,(H2,36,42)(H,37,43)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.87E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1b adrenergic receptor

Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%