BindingDB logo
myBDB logout

PubMed code 17539620

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50214401
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C35H41FN6O4/c1-19(2)31(34(45)39-27(14-20-9-11-23(36)12-10-20)35(46)42-13-5-8-28(42)32(37)43)40-33(44)22-15-25-24-6-4-7-26-30(24)21(17-38-26)16-29(25)41(3)18-22/h4,6-7,9-12,15,17,19,22,27-29,31,38H,5,8,13-14,16,18H2,1-3H3,(H2,37,43)(H,39,45)(H,40,44)/t22-,27+,28+,29-,31+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 600n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50214405
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C35H41N7O6/c1-19(2)31(39-33(44)22-15-25-24-6-4-7-26-30(24)21(17-37-26)16-29(25)40(3)18-22)34(45)38-27(14-20-9-11-23(12-10-20)42(47)48)35(46)41-13-5-8-28(41)32(36)43/h4,6-7,9-12,15,17,19,22,27-29,31,37H,5,8,13-14,16,18H2,1-3H3,(H2,36,43)(H,38,45)(H,39,44)/t22-,27+,28+,29-,31+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.80E+3n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50214408
PNG
((6aR,9S)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C35H41N7O6/c1-19(2)31(39-33(44)22-15-25-24-6-4-7-26-30(24)21(17-37-26)16-29(25)40(3)18-22)34(45)38-27(14-20-9-11-23(12-10-20)42(47)48)35(46)41-13-5-8-28(41)32(36)43/h4,6-7,9-12,15,17,19,22,27-29,31,37H,5,8,13-14,16,18H2,1-3H3,(H2,36,43)(H,38,45)(H,39,44)/t22-,27-,28-,29+,31-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 700n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50214402
PNG
((6aR,9R)-N-((S)-1-((S)-1-(3-carbamoylpiperidin-1-y...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C37H52N6O4/c1-22(2)33(41-35(45)26-17-28-27-12-7-13-29-32(27)25(19-39-29)18-31(28)42(3)20-26)36(46)40-30(15-14-23-9-5-4-6-10-23)37(47)43-16-8-11-24(21-43)34(38)44/h7,12-13,17,19,22-24,26,30-31,33,39H,4-6,8-11,14-16,18,20-21H2,1-3H3,(H2,38,44)(H,40,46)(H,41,45)/t24?,26-,30+,31-,33+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 5.00E+4n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50214403
PNG
((6aR,9R)-N-((S)-1-((S)-1-(3-carbamoylpiperidin-1-y...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C40H42FN7O6/c1-46-21-27(18-31-30-5-2-6-32-36(30)26(20-43-32)19-35(31)46)38(50)44-33(16-24-9-13-29(14-10-24)48(53)54)39(51)45-34(17-23-7-11-28(41)12-8-23)40(52)47-15-3-4-25(22-47)37(42)49/h2,5-14,18,20,25,27,33-35,43H,3-4,15-17,19,21-22H2,1H3,(H2,42,49)(H,44,50)(H,45,51)/t25?,27-,33+,34+,35-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 700n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50214409
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O
Show InChI InChI=1S/C39H41N7O6/c1-21(2)35(39(50)45-31-10-5-4-7-23(31)17-33(45)36(40)47)43-38(49)30(15-22-11-13-26(14-12-22)46(51)52)42-37(48)25-16-28-27-8-6-9-29-34(27)24(19-41-29)18-32(28)44(3)20-25/h4-14,16,19,21,25,30,32-33,35,41H,15,17-18,20H2,1-3H3,(H2,40,47)(H,42,48)(H,43,49)/t25-,30+,32-,33+,35+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 100n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]-R-PIA from adenosine A1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214403
PNG
((6aR,9R)-N-((S)-1-((S)-1-(3-carbamoylpiperidin-1-y...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C40H42FN7O6/c1-46-21-27(18-31-30-5-2-6-32-36(30)26(20-43-32)19-35(31)46)38(50)44-33(16-24-9-13-29(14-10-24)48(53)54)39(51)45-34(17-23-7-11-28(41)12-8-23)40(52)47-15-3-4-25(22-47)37(42)49/h2,5-14,18,20,25,27,33-35,43H,3-4,15-17,19,21-22H2,1H3,(H2,42,49)(H,44,50)(H,45,51)/t25?,27-,33+,34+,35-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 20n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214406
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C41H51N7O6/c1-46-23-29(20-32-31-10-5-11-33-37(31)28(22-43-33)21-36(32)46)39(50)45-35(19-26-12-15-30(16-13-26)48(53)54)40(51)44-34(17-14-25-7-3-2-4-8-25)41(52)47-18-6-9-27(24-47)38(42)49/h5,10-13,15-16,20,22,25,27,29,34-36,43H,2-4,6-9,14,17-19,21,23-24H2,1H3,(H2,42,49)(H,44,51)(H,45,50)/t27?,29-,34+,35+,36-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 300n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
BDBM50214407
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC1CCCCC1)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C36H50N6O4/c1-21(2)32(36(46)42-16-8-13-29(42)33(37)43)40-35(45)28(15-14-22-9-5-4-6-10-22)39-34(44)24-17-26-25-11-7-12-27-31(25)23(19-38-27)18-30(26)41(3)20-24/h7,11-12,17,19,21-22,24,28-30,32,38H,4-6,8-10,13-16,18,20H2,1-3H3,(H2,37,43)(H,39,44)(H,40,45)/t24-,28+,29+,30-,32+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.20E+3n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214401
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C35H41FN6O4/c1-19(2)31(34(45)39-27(14-20-9-11-23(36)12-10-20)35(46)42-13-5-8-28(42)32(37)43)40-33(44)22-15-25-24-6-4-7-26-30(24)21(17-38-26)16-29(25)41(3)18-22/h4,6-7,9-12,15,17,19,22,27-29,31,38H,5,8,13-14,16,18H2,1-3H3,(H2,37,43)(H,39,45)(H,40,44)/t22-,27+,28+,29-,31+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.60E+4n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50214404
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O
Show InChI InChI=1S/C40H50N6O4/c1-23(2)36(44-38(48)27-18-29-28-13-9-14-30-35(28)26(21-42-30)20-33(29)45(3)22-27)39(49)43-31(17-16-24-10-5-4-6-11-24)40(50)46-32-15-8-7-12-25(32)19-34(46)37(41)47/h7-9,12-15,18,21,23-24,27,31,33-34,36,42H,4-6,10-11,16-17,19-20,22H2,1-3H3,(H2,41,47)(H,43,49)(H,44,48)/t27-,31+,33-,34+,36+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 2.50E+4n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50214409
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylindolin-1...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O
Show InChI InChI=1S/C39H41N7O6/c1-21(2)35(39(50)45-31-10-5-4-7-23(31)17-33(45)36(40)47)43-38(49)30(15-22-11-13-26(14-12-22)46(51)52)42-37(48)25-16-28-27-8-6-9-29-34(27)24(19-41-29)18-32(28)44(3)20-25/h4-14,16,19,21,25,30,32-33,35,41H,15,17-18,20H2,1-3H3,(H2,40,47)(H,42,48)(H,43,49)/t25-,30+,32-,33+,35+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]YM 09151-2 from dopamine D2 receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50214400
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C40H49FN6O4/c1-46-23-27(20-30-29-9-5-10-31-36(29)26(22-43-31)21-35(30)46)38(49)44-32(17-14-24-7-3-2-4-8-24)39(50)45-33(19-25-12-15-28(41)16-13-25)40(51)47-18-6-11-34(47)37(42)48/h5,9-10,12-13,15-16,20,22,24,27,32-35,43H,2-4,6-8,11,14,17-19,21,23H2,1H3,(H2,42,48)(H,44,49)(H,45,50)/t27-,32+,33+,34+,35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 3.30E+4n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS 21680 from adenosine A2A receptor in lamb striatum membrane after 2 hrs


J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%