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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50037088   
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))
BDBM50108659
PNG
(1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
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1.14n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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1.29n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120472
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H22N2O/c22-15-19-14-18-8-4-5-9-20(18)21(24-19)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h1-9,19H,10-14,16H2
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1.54n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120470
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES N#CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H22N2O/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-12,14-16H2
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2.16n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108660
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C20H23NO2/c22-19-14-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2
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2.17n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120479
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES N#CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H20N2O/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-13,15H2
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2.18n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120482
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c22-15-19-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)14-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2
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5.66n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120478
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES OCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c23-16-19-14-18-8-4-5-9-20(18)21(24-19)10-12-22(13-11-21)15-17-6-2-1-3-7-17/h1-9,19,23H,10-16H2
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7.16n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120467
PNG
(2-[1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(h...)
Show SMILES OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H25NO2/c23-15-10-20-18-8-4-5-9-19(18)21(24-20)11-13-22(14-12-21)16-17-6-2-1-3-7-17/h1-9,20,23H,10-16H2
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7.27n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50108665
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES OC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C19H21NO2/c21-18-16-8-4-5-9-17(16)19(22-18)10-12-20(13-11-19)14-15-6-2-1-3-7-15/h1-9,18,21H,10-14H2
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7.33n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120475
PNG
(CHEMBL148009 | ethyl 1'-benzylspiro[1,3-dihydroiso...)
Show SMILES CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C22H25NO3/c1-2-25-21(24)20-18-10-6-7-11-19(18)22(26-20)12-14-23(15-13-22)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3
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8.95n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120481
PNG
(CHEMBL358541 | ethyl 1'-benzylspiro[3,4-dihydro-1H...)
Show SMILES CCOC(=O)C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H27NO3/c1-2-26-22(25)21-16-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
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9.33n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120480
PNG
(1'-benzyl-3-ethylspiro[3,4-dihydro-1H-isochromene-...)
Show SMILES CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO/c1-2-20-16-19-10-6-7-11-21(19)22(24-20)12-14-23(15-13-22)17-18-8-4-3-5-9-18/h3-11,20H,2,12-17H2,1H3
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11.7n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120469
PNG
(2-[1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES OCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,20,24H,10-17H2
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12.7n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120471
PNG
(CHEMBL148054 | ethyl 2-[1'-benzylspiro[1,3-dihydro...)
Show SMILES CCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C23H27NO3/c1-2-26-22(25)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
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15.1n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120477
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H24N2O/c23-13-10-20-16-19-8-4-5-9-21(19)22(25-20)11-14-24(15-12-22)17-18-6-2-1-3-7-18/h1-9,20H,10-12,14-17H2
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15.9n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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34.2n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120474
PNG
(2-[1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES O=CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H25NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,15,20H,10-14,16-17H2
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55.1n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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63.9n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120468
PNG
(1N-methyl-2-[1'-benzylspiro[3,4-dihydro-1H-isochro...)
Show SMILES CNCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H30N2O/c1-24-14-11-21-17-20-9-5-6-10-22(20)23(26-21)12-15-25(16-13-23)18-19-7-3-2-4-8-19/h2-10,21,24H,11-18H2,1H3
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148n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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164n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120483
PNG
(1N-methyl-2-[1'-benzylspiro[3,4-dihydro-1H-isochro...)
Show SMILES CNC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H28N2O2/c1-24-22(26)16-20-15-19-9-5-6-10-21(19)23(27-20)11-13-25(14-12-23)17-18-7-3-2-4-8-18/h2-10,20H,11-17H2,1H3,(H,24,26)
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170n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50120473
PNG
(CHEMBL148236 | ethyl 2-[1'-benzylspiro[3,4-dihydro...)
Show SMILES CCOC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C24H29NO3/c1-2-27-23(26)17-21-16-20-10-6-7-11-22(20)24(28-21)12-14-25(15-13-24)18-19-8-4-3-5-9-19/h3-11,21H,2,12-18H2,1H3
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183n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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265n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50002238
PNG
((R)1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-...)
Show SMILES OC(CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1
Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2
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391n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50108660
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES OC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C20H23NO2/c22-19-14-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2
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513n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50108665
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES OC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C19H21NO2/c21-18-16-8-4-5-9-17(16)19(22-18)10-12-20(13-11-19)14-15-6-2-1-3-7-15/h1-9,18,21H,10-14H2
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761n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120479
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES N#CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H20N2O/c21-14-19-17-8-4-5-9-18(17)20(23-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,19H,10-13,15H2
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766n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50108659
PNG
(1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
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1.28E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120472
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H22N2O/c22-15-19-14-18-8-4-5-9-20(18)21(24-19)10-12-23(13-11-21)16-17-6-2-1-3-7-17/h1-9,19H,10-14,16H2
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1.59E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120470
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES N#CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H22N2O/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-12,14-16H2
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1.66E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120482
PNG
(1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(hexa...)
Show SMILES OCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c22-15-19-17-8-4-5-9-18(17)20(23-19)10-12-21(13-11-20)14-16-6-2-1-3-7-16/h1-9,19,22H,10-15H2
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1.98E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120478
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES OCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c23-16-19-14-18-8-4-5-9-20(18)21(24-19)10-12-22(13-11-21)15-17-6-2-1-3-7-17/h1-9,19,23H,10-16H2
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2.09E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120467
PNG
(2-[1'-benzylspiro[1,3-dihydroisobenzofuran-1,4'-(h...)
Show SMILES OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C21H25NO2/c23-15-10-20-18-8-4-5-9-19(18)21(24-20)11-13-22(14-12-21)16-17-6-2-1-3-7-17/h1-9,20,23H,10-16H2
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2.53E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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3.50E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120480
PNG
(1'-benzyl-3-ethylspiro[3,4-dihydro-1H-isochromene-...)
Show SMILES CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO/c1-2-20-16-19-10-6-7-11-21(19)22(24-20)12-14-23(15-13-22)17-18-8-4-3-5-9-18/h3-11,20H,2,12-17H2,1H3
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3.90E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120468
PNG
(1N-methyl-2-[1'-benzylspiro[3,4-dihydro-1H-isochro...)
Show SMILES CNCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H30N2O/c1-24-14-11-21-17-20-9-5-6-10-22(20)23(26-21)12-15-25(16-13-23)18-19-7-3-2-4-8-19/h2-10,21,24H,11-18H2,1H3
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4.36E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120477
PNG
(1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-(he...)
Show SMILES N#CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H24N2O/c23-13-10-20-16-19-8-4-5-9-21(19)22(25-20)11-14-24(15-12-22)17-18-6-2-1-3-7-18/h1-9,20H,10-12,14-17H2
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4.70E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120471
PNG
(CHEMBL148054 | ethyl 2-[1'-benzylspiro[1,3-dihydro...)
Show SMILES CCOC(=O)CC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C23H27NO3/c1-2-26-22(25)16-21-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
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6.77E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120475
PNG
(CHEMBL148009 | ethyl 1'-benzylspiro[1,3-dihydroiso...)
Show SMILES CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C22H25NO3/c1-2-25-21(24)20-18-10-6-7-11-19(18)22(26-20)12-14-23(15-13-22)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3
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7.13E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120469
PNG
(2-[1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES OCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H27NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,20,24H,10-17H2
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8.46E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120474
PNG
(2-[1'-benzylspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES O=CCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C22H25NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,15,20H,10-14,16-17H2
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9.91E+3n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120481
PNG
(CHEMBL358541 | ethyl 1'-benzylspiro[3,4-dihydro-1H...)
Show SMILES CCOC(=O)C1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H27NO3/c1-2-26-22(25)21-16-19-10-6-7-11-20(19)23(27-21)12-14-24(15-13-23)17-18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
1.05E+4n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120473
PNG
(CHEMBL148236 | ethyl 2-[1'-benzylspiro[3,4-dihydro...)
Show SMILES CCOC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C24H29NO3/c1-2-27-23(26)17-21-16-20-10-6-7-11-22(20)24(28-21)12-14-25(15-13-24)18-19-8-4-3-5-9-19/h3-11,21H,2,12-18H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
2.27E+4n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50120483
PNG
(1N-methyl-2-[1'-benzylspiro[3,4-dihydro-1H-isochro...)
Show SMILES CNC(=O)CC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H28N2O2/c1-24-22(26)16-20-15-19-9-5-6-10-21(19)23(27-20)11-13-25(14-12-23)17-18-7-3-2-4-8-18/h2-10,20H,11-17H2,1H3,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.40E+4n/an/an/an/an/an/an/an/a



Pharmazeutisches Institut der Universit£t Freiburg

Curated by ChEMBL


Assay Description
Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver


J Med Chem 45: 4923-30 (2002)


BindingDB Entry DOI: 10.7270/Q2HH6KS2
More data for this
Ligand-Target Pair