BindingDB logo
myBDB logout

PubMed code 9873527

Compile data set for download or QSAR
Found 12 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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071508
PNG
((2S,3S)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-diox...)
Show SMILES CC[C@H](C)[C@@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C27H36N4O3/c1-3-20(2)24(25(32)29-18-21-12-6-4-7-13-21)31-26(33)23(16-10-11-17-28)30(27(31)34)19-22-14-8-5-9-15-22/h4-9,12-15,20,24,33H,3,10-11,16-19,28H2,1-2H3,(H,29,32)/t20-,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 62n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071501
PNG
((R)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-dioxo-im...)
Show SMILES CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C26H34N4O3/c1-2-11-22(24(31)28-18-20-12-5-3-6-13-20)30-25(32)23(16-9-10-17-27)29(26(30)33)19-21-14-7-4-8-15-21/h3-8,12-15,22,32H,2,9-11,16-19,27H2,1H3,(H,28,31)/t22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 64n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071501
PNG
((R)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-dioxo-im...)
Show SMILES CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C26H34N4O3/c1-2-11-22(24(31)28-18-20-12-5-3-6-13-20)30-25(32)23(16-9-10-17-27)29(26(30)33)19-21-14-7-4-8-15-21/h3-8,12-15,22,32H,2,9-11,16-19,27H2,1H3,(H,28,31)/t22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 80n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071506
PNG
((2R,3R)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-diox...)
Show SMILES CC[C@@H](C)[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C27H36N4O3/c1-3-20(2)24(25(32)29-18-21-12-6-4-7-13-21)31-26(33)23(16-10-11-17-28)30(27(31)34)19-22-14-8-5-9-15-22/h4-9,12-15,20,24,33H,3,10-11,16-19,28H2,1-2H3,(H,29,32)/t20-,24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 125n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071504
PNG
((R)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-dioxo-im...)
Show SMILES NCCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C23H34N4O3/c24-14-8-7-13-19-22(29)27(20(21(25)28)15-17-9-3-1-4-10-17)23(30)26(19)16-18-11-5-2-6-12-18/h2,5-6,11-12,17,20,29H,1,3-4,7-10,13-16,24H2,(H2,25,28)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 189n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071510
PNG
((S)-2-[(R)-4-(4-Amino-butyl)-3-benzyl-2,5-dioxo-im...)
Show SMILES NCCCCc1c(O)n([C@@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C23H34N4O3/c24-14-8-7-13-19-22(29)27(20(21(25)28)15-17-9-3-1-4-10-17)23(30)26(19)16-18-11-5-2-6-12-18/h2,5-6,11-12,17,20,29H,1,3-4,7-10,13-16,24H2,(H2,25,28)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071502
PNG
((2R,3S)-2-[(R)-4-(3-Amino-propyl)-3-benzyl-2,5-dio...)
Show SMILES CC[C@H](C)[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C26H34N4O3/c1-3-19(2)23(24(31)28-17-20-11-6-4-7-12-20)30-25(32)22(15-10-16-27)29(26(30)33)18-21-13-8-5-9-14-21/h4-9,11-14,19,23,32H,3,10,15-18,27H2,1-2H3,(H,28,31)/t19-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 333n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071511
PNG
((R)-2-[(S)-4-(3-Amino-propyl)-3-benzyl-2,5-dioxo-i...)
Show SMILES NCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C22H32N4O3/c23-13-7-12-18-21(28)26(19(20(24)27)14-16-8-3-1-4-9-16)22(29)25(18)15-17-10-5-2-6-11-17/h2,5-6,10-11,16,19,28H,1,3-4,7-9,12-15,23H2,(H2,24,27)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 406n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071509
PNG
((R)-2-[(R)-4-(3-Amino-propyl)-3-benzyl-2,5-dioxo-i...)
Show SMILES CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C25H32N4O3/c1-2-10-21(23(30)27-17-19-11-5-3-6-12-19)29-24(31)22(15-9-16-26)28(25(29)32)18-20-13-7-4-8-14-20/h3-8,11-14,21,31H,2,9-10,15-18,26H2,1H3,(H,27,30)/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 435n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071500
PNG
((R)-2-[(R)-4-(5-Amino-pentyl)-3-benzyl-2,5-dioxo-i...)
Show SMILES CCC[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C27H36N4O3/c1-2-12-23(25(32)29-19-21-13-6-3-7-14-21)31-26(33)24(17-10-5-11-18-28)30(27(31)34)20-22-15-8-4-9-16-22/h3-4,6-9,13-16,23,33H,2,5,10-12,17-20,28H2,1H3,(H,29,32)/t23-/m1/s1
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



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071503
PNG
((R)-2-[(R)-4-(5-Amino-pentyl)-3-benzyl-2,5-dioxo-i...)
Show SMILES NCCCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C24H36N4O3/c25-15-9-3-8-14-20-23(30)28(21(22(26)29)16-18-10-4-1-5-11-18)24(31)27(20)17-19-12-6-2-7-13-19/h2,6-7,12-13,18,21,30H,1,3-5,8-11,14-17,25H2,(H2,26,29)/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 3.63E+3n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50071507
PNG
((2R,3S)-2-[(R)-4-(5-Amino-pentyl)-3-benzyl-2,5-dio...)
Show SMILES CC[C@H](C)[C@H](C(=O)NCc1ccccc1)n1c(O)c(CCCCCN)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C28H38N4O3/c1-3-21(2)25(26(33)30-19-22-13-7-4-8-14-22)32-27(34)24(17-11-6-12-18-29)31(28(32)35)20-23-15-9-5-10-16-23/h4-5,7-10,13-16,21,25,34H,3,6,11-12,17-20,29H2,1-2H3,(H,30,33)/t21-,25+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.62E+3n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity for [3H]- pentazocine at sigma opioid receptor

Bioorg Med Chem Lett 8: 2273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2PN94T6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%