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

Found 237 hits with Last Name = 'weichert' and Initial = 'd'   
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167072
PNG
(CHEMBL3799125)
Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r|
Show InChI InChI=1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.0340n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50088582
PNG
(CHEMBL3577346)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2CCc3c(O)cccc3C2)nn1 |r|
Show InChI InChI=1/C34H49N5O4/c1-4-6-21-39-25-28(36-37-39)12-10-22-43-32-17-14-27(24-33(32)42-3)34(41)35-18-7-8-20-38(19-5-2)29-15-16-30-26(23-29)11-9-13-31(30)40/h9,11,13-14,17,24-25,29,40H,4-8,10,12,15-16,18-23H2,1-3H3,(H,35,41)/t29-/s2
UniProtKB/SwissProt

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



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50166979
PNG
(CHEMBL3798748)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1 |r|
Show InChI InChI=1/C28H32N2O6/c1-34-25-16-20(9-12-24(25)35-15-5-8-19-6-3-2-4-7-19)13-14-29-17-23(32)21-10-11-22(31)27-28(21)36-18-26(33)30-27/h2-4,6-7,9-12,16,23,29,31-32H,5,8,13-15,17-18H2,1H3,(H,30,33)/t23-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088582
PNG
(CHEMBL3577346)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2CCc3c(O)cccc3C2)nn1 |r|
Show InChI InChI=1/C34H49N5O4/c1-4-6-21-39-25-28(36-37-39)12-10-22-43-32-17-14-27(24-33(32)42-3)34(41)35-18-7-8-20-38(19-5-2)29-15-16-30-26(23-29)11-9-13-31(30)40/h9,11,13-14,17,24-25,29,40H,4-8,10,12,15-16,18-23H2,1-3H3,(H,35,41)/t29-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167066
PNG
(CHEMBL3800400)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 |r|
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.480n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088582
PNG
(CHEMBL3577346)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2CCc3c(O)cccc3C2)nn1 |r|
Show InChI InChI=1/C34H49N5O4/c1-4-6-21-39-25-28(36-37-39)12-10-22-43-32-17-14-27(24-33(32)42-3)34(41)35-18-7-8-20-38(19-5-2)29-15-16-30-26(23-29)11-9-13-31(30)40/h9,11,13-14,17,24-25,29,40H,4-8,10,12,15-16,18-23H2,1-3H3,(H,35,41)/t29-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.540n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50088578
PNG
(CHEMBL3577342)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34|
Show InChI InChI=1/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.630n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167073
PNG
(CHEMBL3798017)
Show SMILES COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 |r|
Show InChI InChI=1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.880n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C |r,c:28|
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50088581
PNG
(CHEMBL3577345)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2CCc3c(O)cccc3C2)nn1 |r|
Show InChI InChI=1/C34H49N5O4/c1-4-6-21-39-25-28(36-37-39)12-10-22-43-32-17-14-27(24-33(32)42-3)34(41)35-18-7-8-20-38(19-5-2)29-15-16-30-26(23-29)11-9-13-31(30)40/h9,11,13-14,17,24-25,29,40H,4-8,10,12,15-16,18-23H2,1-3H3,(H,35,41)/t29-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088578
PNG
(CHEMBL3577342)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34|
Show InChI InChI=1/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50088580
PNG
(CHEMBL3577344)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)CCc2ccc(O)c3[nH]c(=O)ccc23)nn1
Show InChI InChI=1S/C35H48N6O5/c1-4-6-21-41-25-28(38-39-41)10-9-23-46-31-15-12-27(24-32(31)45-3)35(44)36-18-7-8-20-40(19-5-2)22-17-26-11-14-30(42)34-29(26)13-16-33(43)37-34/h11-16,24-25,42H,4-10,17-23H2,1-3H3,(H,36,44)(H,37,43)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50088579
PNG
(CHEMBL3577343)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2COC(=CC2)C#C)nn1 |r,c:34|
Show InChI InChI=1/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/s2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167063
PNG
(CHEMBL3800341)
Show SMILES COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088578
PNG
(CHEMBL3577342)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@H]2COC(=CC2)C#C)nn1 |r,c:34|
Show InChI InChI=1/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50167063
PNG
(CHEMBL3800341)
Show SMILES COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C |r,c:28|
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCC(=CC1)C#C |r,c:28|
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50167065
PNG
(CHEMBL3797758)
Show SMILES COc1ccccc1OCCNCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO4/c1-21-16-4-2-3-5-17(16)22-11-10-18-9-8-13-6-7-14(19)15(20)12-13/h2-7,12,18-20H,8-11H2,1H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088579
PNG
(CHEMBL3577343)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2COC(=CC2)C#C)nn1 |r,c:34|
Show InChI InChI=1/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50166979
PNG
(CHEMBL3798748)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1 |r|
Show InChI InChI=1/C28H32N2O6/c1-34-25-16-20(9-12-24(25)35-15-5-8-19-6-3-2-4-7-19)13-14-29-17-23(32)21-10-11-22(31)27-28(21)36-18-26(33)30-27/h2-4,6-7,9-12,16,23,29,31-32H,5,8,13-15,17-18H2,1H3,(H,30,33)/t23-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Mus musculus)
BDBM50167066
PNG
(CHEMBL3800400)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 |r|
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50166976
PNG
(CHEMBL3799455)
Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
6.30n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCC(=CC1)C#C |r,c:28|
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.80n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436541
PNG
(CHEMBL2396663)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCC(=CC1)C#C |r,c:28|
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088579
PNG
(CHEMBL3577343)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2COC(=CC2)C#C)nn1 |r,c:34|
Show InChI InChI=1/C31H45N5O4/c1-5-8-20-36-23-26(33-34-36)12-11-21-39-29-16-13-25(22-30(29)38-4)31(37)32-17-9-10-19-35(18-6-2)27-14-15-28(7-3)40-24-27/h3,13,15-16,22-23,27H,5-6,8-12,14,17-21,24H2,1-2,4H3,(H,32,37)/t27-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50167063
PNG
(CHEMBL3800341)
Show SMILES COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50166978
PNG
(CHEMBL3800636)
Show SMILES COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C26H31NO4/c1-30-26-19-22(14-16-27-15-13-21-9-11-23(28)24(29)18-21)10-12-25(26)31-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19,27-29H,5,8,13-17H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
12n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50166980
PNG
(CHEMBL3797205)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1 |r|
Show InChI InChI=1/C28H32N2O6/c1-34-25-16-20(9-12-24(25)35-15-5-8-19-6-3-2-4-7-19)13-14-29-17-23(32)21-10-11-22(31)27-28(21)36-18-26(33)30-27/h2-4,6-7,9-12,16,23,29,31-32H,5,8,13-15,17-18H2,1H3,(H,30,33)/t23-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
13n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50436542
PNG
(CHEMBL2397389)
Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCC(=CC1)C#C |r,c:28|
Show InChI InChI=1S/C28H34N2O/c1-3-21-30(27-18-12-23(4-2)13-19-27)22-9-8-20-29-28(31)26-16-14-25(15-17-26)24-10-6-5-7-11-24/h2,5-7,10-12,14-17,27H,3,8-9,13,18-22H2,1H3,(H,29,31)/t27-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50167063
PNG
(CHEMBL3800341)
Show SMILES COc1cc(CCNCCc2ccc(O)c3NC(=O)COc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50166976
PNG
(CHEMBL3799455)
Show SMILES COc1cc(CCNCCc2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C29H32N2O4/c1-34-27-20-22(9-13-26(27)35-19-5-8-21-6-3-2-4-7-21)15-17-30-18-16-23-10-12-25(32)29-24(23)11-14-28(33)31-29/h2-4,6-7,9-14,20,30,32H,5,8,15-19H2,1H3,(H,31,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
18n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088581
PNG
(CHEMBL3577345)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2CCc3c(O)cccc3C2)nn1 |r|
Show InChI InChI=1/C34H49N5O4/c1-4-6-21-39-25-28(36-37-39)12-10-22-43-32-17-14-27(24-33(32)42-3)34(41)35-18-7-8-20-38(19-5-2)29-15-16-30-26(23-29)11-9-13-31(30)40/h9,11,13-14,17,24-25,29,40H,4-8,10,12,15-16,18-23H2,1-3H3,(H,35,41)/t29-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50166977
PNG
(CHEMBL3800303)
Show SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 |r|
Show InChI InChI=1/C26H31NO5/c1-31-26-16-20(9-12-25(26)32-15-5-8-19-6-3-2-4-7-19)13-14-27-18-24(30)21-10-11-22(28)23(29)17-21/h2-4,6-7,9-12,16-17,24,27-30H,5,8,13-15,18H2,1H3/t24-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
18n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167067
PNG
(CHEMBL3800468)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1OCCCc1ccccc1 |r|
Show InChI InChI=1/C29H32N2O5/c1-35-27-18-21(9-13-26(27)36-17-5-8-20-6-3-2-4-7-20)15-16-30-19-25(33)22-10-12-24(32)29-23(22)11-14-28(34)31-29/h2-4,6-7,9-14,18,25,30,32-33H,5,8,15-17,19H2,1H3,(H,31,34)/t25-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088580
PNG
(CHEMBL3577344)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)CCc2ccc(O)c3[nH]c(=O)ccc23)nn1
Show InChI InChI=1S/C35H48N6O5/c1-4-6-21-41-25-28(38-39-41)10-9-23-46-31-15-12-27(24-32(31)45-3)35(44)36-18-7-8-20-40(19-5-2)22-17-26-11-14-30(42)34-29(26)13-16-33(43)37-34/h11-16,24-25,42H,4-10,17-23H2,1-3H3,(H,36,44)(H,37,43)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
24n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2L receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50167065
PNG
(CHEMBL3797758)
Show SMILES COc1ccccc1OCCNCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C17H21NO4/c1-21-16-4-2-3-5-17(16)22-11-10-18-9-8-13-6-7-14(19)15(20)12-13/h2-7,12,18-20H,8-11H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50167073
PNG
(CHEMBL3798017)
Show SMILES COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 |r|
Show InChI InChI=1/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
26n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50151720
PNG
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r|
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
26n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50088581
PNG
(CHEMBL3577345)
Show SMILES CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCCN(CCC)[C@@H]2CCc3c(O)cccc3C2)nn1 |r|
Show InChI InChI=1/C34H49N5O4/c1-4-6-21-39-25-28(36-37-39)12-10-22-43-32-17-14-27(24-33(32)42-3)34(41)35-18-7-8-20-38(19-5-2)29-15-16-30-26(23-29)11-9-13-31(30)40/h9,11,13-14,17,24-25,29,40H,4-8,10,12,15-16,18-23H2,1-3H3,(H,35,41)/t29-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor transfected in CHO cells after 1 hr by scintillation counting analysis


J Med Chem 58: 2703-17 (2015)


Article DOI: 10.1021/jm501889t
BindingDB Entry DOI: 10.7270/Q2R49SHG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167071
PNG
(CHEMBL1478530)
Show SMILES CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50166978
PNG
(CHEMBL3800636)
Show SMILES COc1cc(CCNCCc2ccc(O)c(O)c2)ccc1OCCCc1ccccc1
Show InChI InChI=1S/C26H31NO4/c1-30-26-19-22(14-16-27-15-13-21-9-11-23(28)24(29)18-21)10-12-25(26)31-17-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,18-19,27-29H,5,8,13-17H2,1H3
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
38n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
40n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

DrugBank
Article
PubMed
46n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50167068
PNG
(CHEMBL3799427)
Show SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 |r|
Show InChI InChI=1/C26H31NO5/c1-31-26-16-20(9-12-25(26)32-15-5-8-19-6-3-2-4-7-19)13-14-27-18-24(30)21-10-11-22(28)23(29)17-21/h2-4,6-7,9-12,16-17,24,27-30H,5,8,13-15,18H2,1H3/t24-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
47n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells


Bioorg Med Chem 24: 2641-53 (2016)


Article DOI: 10.1016/j.bmc.2016.04.028
BindingDB Entry DOI: 10.7270/Q2ZC84S3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 237 total )  |  Next  |  Last  >>
Jump to: