new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 866 hits with Last Name = 'tulshian' and Initial = 'db'   
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
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202775
PNG
(8-(furan-2-yl)-3-(2-(4-(4-methoxyphenyl)piperazin-...)
Show SMILES COc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C23H25N9O2/c1-33-17-6-4-16(5-7-17)30-11-8-29(9-12-30)10-13-31-15-25-19-21(31)27-23(24)32-22(19)26-20(28-32)18-3-2-14-34-18/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202777
PNG
(3-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)et...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cc3F)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21ClFN9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50204794
PNG
(8-(8-fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-...)
Show SMILES Fc1cccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c12 |w:9.9|
Show InChI InChI=1S/C23H26FN3O/c24-19-10-4-6-17-7-5-11-20(21(17)19)26-14-12-23(13-15-26)22(28)25-16-27(23)18-8-2-1-3-9-18/h1-4,6,8-10,20H,5,7,11-16H2,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26927
PNG
(3-[2-(butylamino)ethyl]-8-[(2,6-dichlorophenyl)met...)
Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Show InChI InChI=1S/C26H34Cl2N4O/c1-2-3-14-29-15-18-31-20-32(21-8-5-4-6-9-21)26(25(31)33)12-16-30(17-13-26)19-22-23(27)10-7-11-24(22)28/h4-11,29H,2-3,12-20H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26946
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C32H46N4O/c1-25(2)15-19-33-20-23-35-24-36(26-10-6-5-7-11-26)32(30(35)37)17-21-34(22-18-32)29-14-16-31(3,4)28-13-9-8-12-27(28)29/h5-13,25,29,33H,14-24H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202771
PNG
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)-2-(tri...)
Show SMILES COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C26H28F3N9O3/c1-39-13-14-40-17-4-5-19(18(15-17)26(27,28)29)36-9-6-35(7-10-36)8-11-37-16-31-21-23(37)33-25(30)38-24(21)32-22(34-38)20-3-2-12-41-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202788
PNG
(3-(2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl)-8-(f...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3cccc(Cl)c3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H22ClN9O/c23-15-3-1-4-16(13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(24)32-21(18)26-19(28-32)17-5-2-12-33-17/h1-5,12-14H,6-11H2,(H2,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26945
PNG
(3-[2-(butylamino)ethyl]-8-(4,4-dimethyl-1,2,3,4-te...)
Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C31H44N4O/c1-4-5-19-32-20-23-34-24-35(25-11-7-6-8-12-25)31(29(34)36)17-21-33(22-18-31)28-15-16-30(2,3)27-14-10-9-13-26(27)28/h6-14,28,32H,4-5,15-24H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26924
PNG
(3-[2-(cyclobutylamino)ethyl]-8-[(2,6-dichloropheny...)
Show SMILES Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNC1CCC1)C2=O)c1ccccc1
Show InChI InChI=1S/C26H32Cl2N4O/c27-23-10-5-11-24(28)22(23)18-30-15-12-26(13-16-30)25(33)31(17-14-29-20-6-4-7-20)19-32(26)21-8-2-1-3-9-21/h1-3,5,8-11,20,29H,4,6-7,12-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26923
PNG
(3-{2-[(cyclopropylmethyl)amino]ethyl}-8-[(2,6-dich...)
Show SMILES Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNCC1CC1)C2=O)c1ccccc1
Show InChI InChI=1S/C26H32Cl2N4O/c27-23-7-4-8-24(28)22(23)18-30-14-11-26(12-15-30)25(33)31(16-13-29-17-20-9-10-20)19-32(26)21-5-2-1-3-6-21/h1-8,20,29H,9-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26926
PNG
(8-[(2,6-dichlorophenyl)methyl]-3-{2-[(2-methylprop...)
Show SMILES CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Show InChI InChI=1S/C26H34Cl2N4O/c1-20(2)17-29-13-16-31-19-32(21-7-4-3-5-8-21)26(25(31)33)11-14-30(15-12-26)18-22-23(27)9-6-10-24(22)28/h3-10,20,29H,11-19H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26942
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C31H44N4O/c1-24(2)22-32-18-21-34-23-35(25-10-6-5-7-11-25)31(29(34)36)16-19-33(20-17-31)28-14-15-30(3,4)27-13-9-8-12-26(27)28/h5-13,24,28,32H,14-23H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26954
PNG
(3-[2-(butylamino)ethyl]-8-(6-chloro-4,4-dimethyl-1...)
Show SMILES CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)ccc23)C1=O
Show InChI InChI=1S/C31H43ClN4O/c1-4-5-17-33-18-21-35-23-36(25-9-7-6-8-10-25)31(29(35)37)15-19-34(20-16-31)28-13-14-30(2,3)27-22-24(32)11-12-26(27)28/h6-12,22,28,33H,4-5,13-21,23H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26925
PNG
(8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(prop...)
Show SMILES CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Show InChI InChI=1S/C25H32Cl2N4O/c1-2-13-28-14-17-30-19-31(20-7-4-3-5-8-20)25(24(30)32)11-15-29(16-12-25)18-21-22(26)9-6-10-23(21)27/h3-10,28H,2,11-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26950
PNG
(3-{2-[(cyclohexylmethyl)amino]ethyl}-8-(4,4-dimeth...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C34H48N4O/c1-33(2)18-17-31(29-15-9-10-16-30(29)33)36-22-19-34(20-23-36)32(39)37(26-38(34)28-13-7-4-8-14-28)24-21-35-25-27-11-5-3-6-12-27/h4,7-10,13-16,27,31,35H,3,5-6,11-12,17-26H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26922
PNG
(8-[(2,6-dichlorophenyl)methyl]-1-phenyl-3-[2-(prop...)
Show SMILES CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Show InChI InChI=1S/C25H32Cl2N4O/c1-19(2)28-13-16-30-18-31(20-7-4-3-5-8-20)25(24(30)32)11-14-29(15-12-25)17-21-22(26)9-6-10-23(21)27/h3-10,19,28H,11-18H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26921
PNG
(8-[(2,6-dichlorophenyl)methyl]-3-[2-(ethylamino)et...)
Show SMILES CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H30Cl2N4O/c1-2-27-13-16-29-18-30(19-7-4-3-5-8-19)24(23(29)31)11-14-28(15-12-24)17-20-21(25)9-6-10-22(20)26/h3-10,27H,2,11-18H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202790
PNG
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)
Show SMILES COCCOc1ccc(cc1)C1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C26H30N8O3/c1-35-15-16-36-20-6-4-18(5-7-20)19-8-10-32(11-9-19)12-13-33-17-28-22-24(33)30-26(27)34-25(22)29-23(31-34)21-3-2-14-37-21/h2-7,14,17,19H,8-13,15-16H2,1H3,(H2,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202779
PNG
(3-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(F)cc3F)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21F2N9O/c23-14-3-4-16(15(24)12-14)31-8-5-30(6-9-31)7-10-32-13-26-18-20(32)28-22(25)33-21(18)27-19(29-33)17-2-1-11-34-17/h1-4,11-13H,5-10H2,(H2,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26941
PNG
(3-{2-[(cyclopropylmethyl)amino]ethyl}-8-(4,4-dimet...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CC2)C3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C31H42N4O/c1-30(2)15-14-28(26-10-6-7-11-27(26)30)33-19-16-31(17-20-33)29(36)34(21-18-32-22-24-12-13-24)23-35(31)25-8-4-3-5-9-25/h3-11,24,28,32H,12-23H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202769
PNG
(3-(2-(4-(2-fluoro-4-(2-methoxyethoxy)phenyl)pipera...)
Show SMILES COCCOc1ccc(N2CCN(CCn3cnc4c3nc(N)n3nc(nc43)-c3ccco3)CC2)c(F)c1
Show InChI InChI=1S/C25H28FN9O3/c1-36-13-14-37-17-4-5-19(18(26)15-17)33-9-6-32(7-10-33)8-11-34-16-28-21-23(34)30-25(27)35-24(21)29-22(31-35)20-3-2-12-38-20/h2-5,12,15-16H,6-11,13-14H2,1H3,(H2,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26920
PNG
(8-[(2,6-dichlorophenyl)methyl]-3-[2-(methylamino)e...)
Show SMILES CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Show InChI InChI=1S/C23H28Cl2N4O/c1-26-12-15-28-17-29(18-6-3-2-4-7-18)23(22(28)30)10-13-27(14-11-23)16-19-20(24)8-5-9-21(19)25/h2-9,26H,10-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50204769
PNG
(8-(5-fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-...)
Show SMILES Fc1cccc2C(CCCc12)N1CCC2(CC1)N(CNC2=O)c1ccccc1 |w:6.12|
Show InChI InChI=1S/C23H26FN3O/c24-20-10-4-9-19-18(20)8-5-11-21(19)26-14-12-23(13-15-26)22(28)25-16-27(23)17-6-2-1-3-7-17/h1-4,6-7,9-10,21H,5,8,11-16H2,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50204768
PNG
(8-(7-fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-...)
Show SMILES Fc1ccc2CCCC(N3CCC4(CC3)N(CNC4=O)c3ccccc3)c2c1 |w:8.8|
Show InChI InChI=1S/C23H26FN3O/c24-18-10-9-17-5-4-8-21(20(17)15-18)26-13-11-23(12-14-26)22(28)25-16-27(23)19-6-2-1-3-7-19/h1-3,6-7,9-10,15,21H,4-5,8,11-14,16H2,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202766
PNG
(3-(2-(4-(4-fluorophenyl)piperidin-1-yl)ethyl)-8-(f...)
Show SMILES Nc1nc2n(CCN3CCC(CC3)c3ccc(F)cc3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H23FN8O/c24-17-5-3-15(4-6-17)16-7-9-30(10-8-16)11-12-31-14-26-19-21(31)28-23(25)32-22(19)27-20(29-32)18-2-1-13-33-18/h1-6,13-14,16H,7-12H2,(H2,25,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26936
PNG
(3-[2-(cyclopentylamino)ethyl]-8-(4,4-dimethyl-1,2,...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCC2)C3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C32H44N4O/c1-31(2)17-16-29(27-14-8-9-15-28(27)31)34-21-18-32(19-22-34)30(37)35(23-20-33-25-10-6-7-11-25)24-36(32)26-12-4-3-5-13-26/h3-5,8-9,12-15,25,29,33H,6-7,10-11,16-24H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26937
PNG
(3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-1,2,3...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C33H46N4O/c1-32(2)18-17-30(28-15-9-10-16-29(28)32)35-22-19-33(20-23-35)31(38)36(24-21-34-26-11-5-3-6-12-26)25-37(33)27-13-7-4-8-14-27/h4,7-10,13-16,26,30,34H,3,5-6,11-12,17-25H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202773
PNG
(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-17-27-21-23(33)29-25(26)34-24(21)28-22(30-34)20-3-2-14-37-20/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26939
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC=C)C3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C30H40N4O/c1-4-18-31-19-22-33-23-34(24-10-6-5-7-11-24)30(28(33)35)16-20-32(21-17-30)27-14-15-29(2,3)26-13-9-8-12-25(26)27/h4-13,27,31H,1,14-23H2,2-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202783
PNG
(3-(2-(4-(5-chloropyridin-2-yl)piperazin-1-yl)ethyl...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ccc(Cl)cn3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H21ClN10O/c22-14-3-4-16(24-12-14)30-8-5-29(6-9-30)7-10-31-13-25-17-19(31)27-21(23)32-20(17)26-18(28-32)15-2-1-11-33-15/h1-4,11-13H,5-10H2,(H2,23,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26928
PNG
(8-[(2,6-dichlorophenyl)methyl]-3-[2-(diethylamino)...)
Show SMILES CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
Show InChI InChI=1S/C26H34Cl2N4O/c1-3-29(4-2)17-18-31-20-32(21-9-6-5-7-10-21)26(25(31)33)13-15-30(16-14-26)19-22-23(27)11-8-12-24(22)28/h5-12H,3-4,13-20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26938
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C30H42N4O/c1-4-18-31-19-22-33-23-34(24-10-6-5-7-11-24)30(28(33)35)16-20-32(21-17-30)27-14-15-29(2,3)26-13-9-8-12-25(26)27/h5-13,27,31H,4,14-23H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202767
PNG
(8-(furan-2-yl)-3-(2-(4-(5-methylpyridin-2-yl)piper...)
Show SMILES Cc1ccc(nc1)N1CCN(CCn2cnc3c2nc(N)n2nc(nc32)-c2ccco2)CC1
Show InChI InChI=1S/C22H24N10O/c1-15-4-5-17(24-13-15)30-9-6-29(7-10-30)8-11-31-14-25-18-20(31)27-22(23)32-21(18)26-19(28-32)16-3-2-12-33-16/h2-5,12-14H,6-11H2,1H3,(H2,23,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50204783
PNG
(1-phenyl-8-(1-phenyl-pentyl)-1,3,8-triaza-spiro[4....)
Show SMILES CCCCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H31N3O/c1-2-3-14-22(20-10-6-4-7-11-20)26-17-15-24(16-18-26)23(28)25-19-27(24)21-12-8-5-9-13-21/h4-13,22H,2-3,14-19H2,1H3,(H,25,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50169328
PNG
(5-{4-[3-(5-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-...)
Show SMILES COCCOc1ccc(cc1C#N)N1CCN(Cc2cccc(c2)-c2cc3nc(nn3c(N)n2)-c2ccco2)CC1
Show InChI InChI=1S/C30H30N8O3/c1-39-14-15-41-26-8-7-24(17-23(26)19-31)37-11-9-36(10-12-37)20-21-4-2-5-22(16-21)25-18-28-34-29(27-6-3-13-40-27)35-38(28)30(32)33-25/h2-8,13,16-18H,9-12,14-15,20H2,1H3,(H2,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087008
PNG
(8-indan-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCc2ccccc12
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)18-7-2-1-3-8-18)12-14-24(15-13-22)20-11-10-17-6-4-5-9-19(17)20/h1-9,20H,10-16H2,(H,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26947
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H31N3O/c1-24(2)13-12-22(20-10-6-7-11-21(20)24)27-16-14-25(15-17-27)23(29)26-18-28(25)19-8-4-3-5-9-19/h3-11,22H,12-18H2,1-2H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26947
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H31N3O/c1-24(2)13-12-22(20-10-6-7-11-21(20)24)27-16-14-25(15-17-27)23(29)26-18-28(25)19-8-4-3-5-9-19/h3-11,22H,12-18H2,1-2H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26944
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCN2CCCC2)C3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C31H42N4O/c1-30(2)15-14-28(26-12-6-7-13-27(26)30)33-20-16-31(17-21-33)29(36)34(23-22-32-18-8-9-19-32)24-35(31)25-10-4-3-5-11-25/h3-7,10-13,28H,8-9,14-24H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50204764
PNG
(8-(6-chloro-4,4-dimethyl-1,2,3,4-tetrahydro-naphth...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccc(Cl)cc12 |w:5.5|
Show InChI InChI=1S/C25H30ClN3O/c1-24(2)11-10-22(20-9-8-18(26)16-21(20)24)28-14-12-25(13-15-28)23(30)27-17-29(25)19-6-4-3-5-7-19/h3-9,16,22H,10-15,17H2,1-2H3,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165053
PNG
(6-Furan-2-yl-9-naphthalen-2-ylmethyl-9H-purin-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C20H15N5O/c21-20-23-17(16-6-3-9-26-16)18-19(24-20)25(12-22-18)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-10,12H,11H2,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202789
PNG
(3-(2-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)eth...)
Show SMILES Nc1nc2n(CCN3CCN(CC3)c3ncc(F)cn3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C20H20FN11O/c21-13-10-23-20(24-11-13)30-6-3-29(4-7-30)5-8-31-12-25-15-17(31)27-19(22)32-18(15)26-16(28-32)14-2-1-9-33-14/h1-2,9-12H,3-8H2,(H2,22,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087015
PNG
(1-Phenyl-8-(1,2,3,4-tetrahydro-naphthalen-1-yl)-1,...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1CCCc2ccccc12
Show InChI InChI=1S/C23H27N3O/c27-22-23(26(17-24-22)19-9-2-1-3-10-19)13-15-25(16-14-23)21-12-6-8-18-7-4-5-11-20(18)21/h1-5,7,9-11,21H,6,8,12-17H2,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26935
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C30H42N4O/c1-23(2)31-18-21-33-22-34(24-10-6-5-7-11-24)30(28(33)35)16-19-32(20-17-30)27-14-15-29(3,4)26-13-9-8-12-25(26)27/h5-13,23,27,31H,14-22H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50169314
PNG
(2-Furan-2-yl-7-pyridin-2-yl-[1,2,4]triazolo[1,5-c]...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)-c1ccccn1
Show InChI InChI=1S/C14H10N6O/c15-14-17-10(9-4-1-2-6-16-9)8-12-18-13(19-20(12)14)11-5-3-7-21-11/h1-8H,(H2,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-SCH-58,261 from A2A adenosine receptor in Rat


Bioorg Med Chem Lett 15: 3670-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.086
BindingDB Entry DOI: 10.7270/Q279446R
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50202772
PNG
(3-benzyl-8-(furan-2-yl)-3H-[1,2,4]triazolo[1,5-g]p...)
Show SMILES Nc1nc2n(Cc3ccccc3)cnc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C17H13N7O/c18-17-21-15-13(19-10-23(15)9-11-5-2-1-3-6-11)16-20-14(22-24(16)17)12-7-4-8-25-12/h1-8,10H,9H2,(H2,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2A receptor


Bioorg Med Chem Lett 17: 1659-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.104
BindingDB Entry DOI: 10.7270/Q2RF5TPQ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50204785
PNG
(8-(4-methyl-1-phenyl-pentyl)-1-phenyl-1,3,8-triaza...)
Show SMILES CC(C)CCC(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H33N3O/c1-20(2)13-14-23(21-9-5-3-6-10-21)27-17-15-25(16-18-27)24(29)26-19-28(25)22-11-7-4-8-12-22/h3-12,20,23H,13-19H2,1-2H3,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26940
PNG
(3-[2-(cyclobutylamino)ethyl]-8-(4,4-dimethyl-1,2,3...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCC2)C3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C31H42N4O/c1-30(2)16-15-28(26-13-6-7-14-27(26)30)33-20-17-31(18-21-33)29(36)34(22-19-32-24-9-8-10-24)23-35(31)25-11-4-3-5-12-25/h3-7,11-14,24,28,32H,8-10,15-23H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26934
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
Show InChI InChI=1S/C29H40N4O/c1-4-30-18-21-32-22-33(23-10-6-5-7-11-23)29(27(32)34)16-19-31(20-17-29)26-14-15-28(2,3)25-13-9-8-12-24(25)26/h5-13,26,30H,4,14-22H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM26932
PNG
(8-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)...)
Show SMILES CC1(C)CCC(N2CCC3(CC2)N(CN(CCO)C3=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C27H35N3O2/c1-26(2)13-12-24(22-10-6-7-11-23(22)26)28-16-14-27(15-17-28)25(32)29(18-19-31)20-30(27)21-8-4-3-5-9-21/h3-11,24,31H,12-20H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 866 total )  |  Next  |  Last  >>
Jump to: