BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 986 hits with Last Name = 'hikawa' and Initial = 'h'   
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
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM50118470
PNG
(CHEMBL1218 | N-[2-(1,6,7,8-Tetrahydro-2H-3-oxa-as-...)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
PubMed
 0.0138n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1A (MT1)

J Med Chem 45: 4222-39 (2002)


BindingDB Entry DOI: 10.7270/Q2D799S6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM50118470
PNG
(CHEMBL1218 | N-[2-(1,6,7,8-Tetrahydro-2H-3-oxa-as-...)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12
Show InChI InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
PubMed
 0.0450n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1B (MT2)

J Med Chem 45: 4222-39 (2002)


BindingDB Entry DOI: 10.7270/Q2D799S6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Melatonin receptor type 1A


(Homo sapiens (Human))		BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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
 0.0823n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1A (MT1)

J Med Chem 45: 4222-39 (2002)


BindingDB Entry DOI: 10.7270/Q2D799S6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50474150
PNG
(CHEMBL58362)
Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
 0.0871n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand

J Med Chem 45: 1949-56 (2002)


Article DOI: 10.1021/jm010576e
BindingDB Entry DOI: 10.7270/Q2WS8X0T
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429213
PNG
(CHEMBL2332262)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN3O2/c1-27(21-11-9-20(26)10-12-21)23(30)16-29-22-15-19(17-6-3-2-4-7-17)14-18-8-5-13-28(24(18)22)25(29)31/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.130n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.180n/an/an/an/an/an/an/an/a



Otsuka Pharmaceutical Factory, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human adenosine A3 receptor expressed in HEK-293 cells

Bioorg Med Chem Lett 14: 2443-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.010
BindingDB Entry DOI: 10.7270/Q21C1W9W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421113
PNG
(CHEMBL2088371)
Show SMILES CN(C(=O)Cn1c2cc(Br)ccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C16H13BrN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.180n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117223
PNG
(5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H18N6O/c1-3-4-5-13-20-16-14(18-10-19-16)17-21-15(22-23(13)17)11-6-8-12(24-2)9-7-11/h6-10H,3-5H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.180n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.17-0.20

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))		BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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
 0.195n/an/an/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against human Melatonin receptor type 1B (MT2)

J Med Chem 45: 4222-39 (2002)


BindingDB Entry DOI: 10.7270/Q2D799S6
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421106
PNG
(CHEMBL2088364)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17ClN2O3/c1-24(18-10-8-17(23)9-11-18)21(26)14-25-19-13-16(15-5-3-2-4-6-15)7-12-20(19)28-22(25)27/h2-13H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.210n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429219
PNG
(CHEMBL2332256)
Show SMILES CN(C(=O)Cn1c2cc(cc3OCCn(c23)c1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-25(19-10-6-3-7-11-19)22(28)16-27-20-14-18(17-8-4-2-5-9-17)15-21-23(20)26(24(27)29)12-13-30-21/h2-11,14-15H,12-13,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 0.210n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429217
PNG
(CHEMBL2332258)
Show SMILES CN(Cc1ccccc1)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O2/c1-27(17-19-9-4-2-5-10-19)24(30)18-29-23-16-22(20-11-6-3-7-12-20)15-21-13-8-14-28(25(21)23)26(29)31/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.230n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429216
PNG
(CHEMBL2332259)
Show SMILES COc1cccc(c1)N(C)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O3/c1-27(21-11-6-12-22(16-21)32-2)24(30)17-29-23-15-20(18-8-4-3-5-9-18)14-19-10-7-13-28(25(19)23)26(29)31/h3-6,8-9,11-12,14-16H,7,10,13,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.280n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421116
PNG
(CHEMBL2088374)
Show SMILES COc1ccc(cc1)-c1ccc2oc(=O)n(CC(=O)N(C)c3ccccc3)c2c1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-6-4-3-5-7-18)22(26)15-25-20-14-17(10-13-21(20)29-23(25)27)16-8-11-19(28-2)12-9-16/h3-14H,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.290n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429220
PNG
(CHEMBL2332255)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCCn(c23)c1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H25N3O2/c1-27(22-13-6-3-7-14-22)24(30)18-29-23-17-21(19-10-4-2-5-11-19)16-20-12-8-9-15-28(25(20)23)26(29)31/h2-7,10-11,13-14,16-17H,8-9,12,15,18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.320n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421115
PNG
(CHEMBL2088373)
Show SMILES COc1cccc(c1)-c1ccc2oc(=O)n(CC(=O)N(C)c3ccccc3)c2c1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-8-4-3-5-9-18)22(26)15-25-20-14-17(11-12-21(20)29-23(25)27)16-7-6-10-19(13-16)28-2/h3-14H,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.330n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421123
PNG
(CHEMBL2088544)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)N(C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21N3O3/c1-24(17-9-5-3-6-10-17)19-13-14-21-20(15-19)26(23(28)29-21)16-22(27)25(2)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.360n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429214
PNG
(CHEMBL2332261)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C25H22ClN3O2/c1-27(21-11-5-10-20(26)15-21)23(30)16-29-22-14-19(17-7-3-2-4-8-17)13-18-9-6-12-28(24(18)22)25(29)31/h2-5,7-8,10-11,13-15H,6,9,12,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.440n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421117
PNG
(CHEMBL2088375)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H17F3N2O3/c1-27(18-8-3-2-4-9-18)21(29)14-28-19-13-16(10-11-20(19)31-22(28)30)15-6-5-7-17(12-15)23(24,25)26/h2-13H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.480n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421114
PNG
(CHEMBL2088372)
Show SMILES CN(C(=O)Cn1c2cc(Cl)ccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C16H13ClN2O3/c1-18(12-5-3-2-4-6-12)15(20)10-19-13-9-11(17)7-8-14(13)22-16(19)21/h2-9H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.490n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117216
PNG
(5-Butyl-8-(4-propoxy-phenyl)-3H-[1,2,4]triazolo[5,...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCCC)cc1
Show InChI InChI=1S/C19H22N6O/c1-3-5-6-15-22-18-16(20-12-21-18)19-23-17(24-25(15)19)13-7-9-14(10-8-13)26-11-4-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.510n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.35-0.74

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50053929
PNG
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)
Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1
Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 0.650n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421119
PNG
(CHEMBL2088377)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C23H17F3N2O4/c1-27(17-5-3-2-4-6-17)21(29)14-28-19-13-16(9-12-20(19)31-22(28)30)15-7-10-18(11-8-15)32-23(24,25)26/h2-13H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.650n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421118
PNG
(CHEMBL2088376)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H17F3N2O3/c1-27(18-5-3-2-4-6-18)21(29)14-28-19-13-16(9-12-20(19)31-22(28)30)15-7-10-17(11-8-15)23(24,25)26/h2-13H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.680n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429215
PNG
(CHEMBL2332260)
Show SMILES COc1ccc(cc1)N(C)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O3/c1-27(21-10-12-22(32-2)13-11-21)24(30)17-29-23-16-20(18-7-4-3-5-8-18)15-19-9-6-14-28(25(19)23)26(29)31/h3-5,7-8,10-13,15-16H,6,9,14,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.730n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421105
PNG
(CHEMBL2088363)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H17ClN2O3/c1-24(18-9-5-8-17(23)13-18)21(26)14-25-19-12-16(15-6-3-2-4-7-15)10-11-20(19)28-22(25)27/h2-13H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.790n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM85618
PNG
(CHEMBL302765 | J1.251.181G | MRE 3008F20)
Show SMILES CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(OC)cc1)n1nc(nc21)-c1ccco1
Show InChI InChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 0.800n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.63-1.00

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117222
PNG
(5-Butyl-8-(4-ethoxy-phenyl)-3H-[1,2,4]triazolo[5,1...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C18H20N6O/c1-3-5-6-14-21-17-15(19-11-20-17)18-22-16(23-24(14)18)12-7-9-13(10-8-12)25-4-2/h7-11H,3-6H2,1-2H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.900n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.58-1.40

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421103
PNG
(CHEMBL2088361)
Show SMILES COc1cccc(c1)N(C)C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-9-6-10-19(14-18)28-2)22(26)15-25-20-13-17(16-7-4-3-5-8-16)11-12-21(20)29-23(25)27/h3-14H,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.900n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429221
PNG
(CHEMBL2332254)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c1-26(21-12-6-3-7-13-21)23(29)17-28-22-16-20(18-9-4-2-5-10-18)15-19-11-8-14-27(24(19)22)25(28)30/h2-7,9-10,12-13,15-16H,8,11,14,17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.940n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.950n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.72-1.24

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50117239
PNG
(CHEMBL123462 | [4-(5-Butyl-3H-[1,2,4]triazolo[5,1-...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C18H21N7/c1-4-5-6-14-21-17-15(19-11-20-17)18-22-16(23-25(14)18)12-7-9-13(10-8-12)24(2)3/h7-11H,4-6H2,1-3H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.25n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.82-1.91

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421096
PNG
(CHEMBL2088346)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O3/c1-23(18-10-6-3-7-11-18)21(25)15-24-19-14-17(16-8-4-2-5-9-16)12-13-20(19)27-22(24)26/h2-14H,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.60n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421096
PNG
(CHEMBL2088346)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O3/c1-23(18-10-6-3-7-11-18)21(25)15-24-19-14-17(16-8-4-2-5-9-16)12-13-20(19)27-22(24)26/h2-14H,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.60n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429218
PNG
(CHEMBL2332257)
Show SMILES CCCN(CCC)C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-3-12-25(13-4-2)22(28)17-27-21-16-20(18-9-6-5-7-10-18)15-19-11-8-14-26(23(19)21)24(27)29/h5-7,9-10,15-16H,3-4,8,11-14,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))		BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 1.70n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))		BDBM50421120
PNG
(CHEMBL2088540)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H17N3O3/c1-23(16-7-3-2-4-8-16)20(25)14-24-18-13-15(17-9-5-6-12-22-17)10-11-19(18)27-21(24)26/h2-13H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.80n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421110
PNG
(CHEMBL2088368)
Show SMILES CN(C)Cc1ccccc1N(C)C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-26(2)16-20-11-7-8-12-21(20)27(3)24(29)17-28-22-15-19(18-9-5-4-6-10-18)13-14-23(22)31-25(28)30/h4-15H,16-17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429211
PNG
(CHEMBL2331871)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H22N4O2/c1-26(20-10-5-11-25-15-20)22(29)16-28-21-14-19(17-7-3-2-4-8-17)13-18-9-6-12-27(23(18)21)24(28)30/h2-5,7-8,10-11,13-15H,6,9,12,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.10n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421104
PNG
(CHEMBL2088362)
Show SMILES COc1ccc(cc1)N(C)C(=O)Cn1c2cc(ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C23H20N2O4/c1-24(18-9-11-19(28-2)12-10-18)22(26)15-25-20-14-17(16-6-4-3-5-7-16)8-13-21(20)29-23(25)27/h3-14H,15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.20n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50429212
PNG
(CHEMBL2331870)
Show SMILES CN(C(=O)Cn1c2cc(cc3CCCn(c23)c1=O)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C24H22N4O2/c1-26(21-11-5-6-12-25-21)22(29)16-28-20-15-19(17-8-3-2-4-9-17)14-18-10-7-13-27(23(18)20)24(28)30/h2-6,8-9,11-12,14-15H,7,10,13,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.5n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat kidney mitochondria after 1 hr by liquid scintillation counting analysis

Bioorg Med Chem 21: 1257-67 (2013)


Article DOI: 10.1016/j.bmc.2012.12.024
BindingDB Entry DOI: 10.7270/Q28053ZS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50474150
PNG
(CHEMBL58362)
Show SMILES [H][C@@]12C[C@]([H])(C(=C/OC)\C(=O)OC)[C@]([H])(CC)CN1CC[C@]21Nc2cccc(OC)c2C1=O
Show InChI InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(19(25)11-15(14)16(13-28-2)22(27)30-4)21(26)20-17(24-23)7-6-8-18(20)29-3/h6-8,13-15,19,24H,5,9-12H2,1-4H3/b16-13+/t14-,15+,19+,23+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
 3n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor delta 1 using [3H]DPDPE as radioligand

J Med Chem 45: 1949-56 (2002)


Article DOI: 10.1021/jm010576e
BindingDB Entry DOI: 10.7270/Q2WS8X0T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 3.5n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand

J Med Chem 45: 1949-56 (2002)


Article DOI: 10.1021/jm010576e
BindingDB Entry DOI: 10.7270/Q2WS8X0T
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421122
PNG
(CHEMBL2088543)
Show SMILES CN(C(=O)Cn1c2cc(Oc3ccccc3)ccc2oc1=O)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c1-23(16-8-4-2-5-9-16)21(25)15-24-19-14-18(12-13-20(19)28-22(24)26)27-17-10-6-3-7-11-17/h2-14H,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))		BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A1 receptor expressed in CHO cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50421121
PNG
(CHEMBL2088542)
Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O3/c1-23(17-5-3-2-4-6-17)20(25)14-24-18-13-16(15-9-11-22-12-10-15)7-8-19(18)27-21(24)26/h2-13H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.30n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))		BDBM50117215
PNG
(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Show SMILES CCCCc1nc2nc[nH]c2c2nc(nn12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N6/c1-2-3-4-12-23-15-13(21-9-22-15)16-24-14(25-26(12)16)10-5-7-11(8-6-10)17(18,19)20/h5-9H,2-4H2,1H3,(H,21,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 6n/an/an/an/an/an/an/an/a



Nutrition Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPCPX binding to human Adenosine A2B receptor expressed in HEK cells at 10000 nM

J Med Chem 45: 3703-8 (2002)


BindingDB Entry DOI: 10.7270/Q2154GCW
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 6.80n/an/an/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting

Bioorg Med Chem 20: 5568-82 (2012)


Article DOI: 10.1016/j.bmc.2012.07.023
BindingDB Entry DOI: 10.7270/Q2DF6SGW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50474152
PNG
(CHEBI:6956 | CHEMBL299031)
Show SMILES [H][C@@]1(CC)CN2CCc3c([nH]c4cccc(OC)c34)[C@]2([H])C[C@]1([H])C(=C/OC)\C(=O)OC
Show InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
 7.20n/an/an/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Binding affinity using guinea pig brain membrane preparations, towards Opioid receptor mu 1 using [3H]- DAMGO as radioligand

J Med Chem 45: 1949-56 (2002)


Article DOI: 10.1021/jm010576e
BindingDB Entry DOI: 10.7270/Q2WS8X0T
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 986 total )  |  Next  |  Last  >>
Jump to: