Found 277 hits with Last Name = 'sejer pedersen' and Initial = 'd' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50614466
(CHEMBL5272537)Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| UniChem
| | 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50103430
(6-Amino-2-(3-(1H-indol-3-yl)-2-{[4-(2-oxo-2,3-dihy...)Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12 Show InChI InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50614463
(CHEMBL5283332)Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](S)Cc1ccccc1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| UniChem
| | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM50614462
(CHEMBL5277842)Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| UniChem
| | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50614462
(CHEMBL5277842)Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50614474
(CHEMBL5274928)Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)C(=O)NC(CCCNC(N)=N)C(O)=O)C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50614476
(CHEMBL5280457)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518984
(CHEMBL4564189)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C33H54N4O5/c1-25(2)36-21-29(38)23-41-31-17-7-5-13-27(31)15-9-11-19-34-33(40)35-20-12-10-16-28-14-6-8-18-32(28)42-24-30(39)22-37-26(3)4/h5-8,13-14,17-18,25-26,29-30,36-39H,9-12,15-16,19-24H2,1-4H3,(H2,34,35,40)/t29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50614468
(CHEMBL5272269)Show SMILES CC(C)C[C@H](N1Cc2ccccc2C[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518969
(CHEMBL4514723)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C36H55N9O4/c1-27(2)38-21-33(46)25-48-35-15-7-5-11-29(35)13-9-17-44-23-31(40-42-44)19-37-20-32-24-45(43-41-32)18-10-14-30-12-6-8-16-36(30)49-26-34(47)22-39-28(3)4/h5-8,11-12,15-16,23-24,27-28,33-34,37-39,46-47H,9-10,13-14,17-22,25-26H2,1-4H3/t33-,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50614472
(CHEMBL5284501)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518981
(CHEMBL4594173)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H54N4O6/c1-25(2)37-21-29(39)23-43-31-15-7-5-11-27(31)13-9-17-33(41)35-19-20-36-34(42)18-10-14-28-12-6-8-16-32(28)44-24-30(40)22-38-26(3)4/h5-8,11-12,15-16,25-26,29-30,37-40H,9-10,13-14,17-24H2,1-4H3,(H,35,41)(H,36,42)/t29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.759 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50403371
(Firazyr | HOE-140 | ICATIBANT)Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518993
(CHEMBL4527821)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C32H52N2O4/c1-25(2)33-21-29(35)23-37-31-19-13-11-17-27(31)15-9-7-5-6-8-10-16-28-18-12-14-20-32(28)38-24-30(36)22-34-26(3)4/h11-14,17-20,25-26,29-30,33-36H,5-10,15-16,21-24H2,1-4H3/t29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518982
(CHEMBL4462252)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C34H51N9O4/c1-25(2)36-19-31(44)23-46-33-11-7-5-9-27(33)13-15-42-21-29(38-40-42)17-35-18-30-22-43(41-39-30)16-14-28-10-6-8-12-34(28)47-24-32(45)20-37-26(3)4/h5-12,21-22,25-26,31-32,35-37,44-45H,13-20,23-24H2,1-4H3/t31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518977
(CHEMBL1160734)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.933 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518973
(CHEMBL4473518)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H48N2O4/c1-23(2)31-19-27(33)21-35-29-17-11-9-15-25(29)13-7-5-6-8-14-26-16-10-12-18-30(26)36-22-28(34)20-32-24(3)4/h9-12,15-18,23-24,27-28,31-34H,5-8,13-14,19-22H2,1-4H3/t27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50614491
(CHEMBL5278521)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518969
(CHEMBL4514723)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C36H55N9O4/c1-27(2)38-21-33(46)25-48-35-15-7-5-11-29(35)13-9-17-44-23-31(40-42-44)19-37-20-32-24-45(43-41-32)18-10-14-30-12-6-8-16-36(30)49-26-34(47)22-39-28(3)4/h5-8,11-12,15-16,23-24,27-28,33-34,37-39,46-47H,9-10,13-14,17-22,25-26H2,1-4H3/t33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518968
(CHEMBL4441975)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C36H60N2O4/c1-29(2)37-25-33(39)27-41-35-23-17-15-21-31(35)19-13-11-9-7-5-6-8-10-12-14-20-32-22-16-18-24-36(32)42-28-34(40)26-38-30(3)4/h15-18,21-24,29-30,33-34,37-40H,5-14,19-20,25-28H2,1-4H3/t33-,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518978
(CHEMBL4446394)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C31H50N4O5/c1-23(2)34-19-27(36)21-39-29-15-7-5-11-25(29)13-9-17-32-31(38)33-18-10-14-26-12-6-8-16-30(26)40-22-28(37)20-35-24(3)4/h5-8,11-12,15-16,23-24,27-28,34-37H,9-10,13-14,17-22H2,1-4H3,(H2,32,33,38)/t27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518968
(CHEMBL4441975)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C36H60N2O4/c1-29(2)37-25-33(39)27-41-35-23-17-15-21-31(35)19-13-11-9-7-5-6-8-10-12-14-20-32-22-16-18-24-36(32)42-28-34(40)26-38-30(3)4/h15-18,21-24,29-30,33-34,37-40H,5-14,19-20,25-28H2,1-4H3/t33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518977
(CHEMBL1160734)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518979
(CHEMBL4434772)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H56N2O4/c1-27(2)35-23-31(37)25-39-33-21-15-13-19-29(33)17-11-9-7-5-6-8-10-12-18-30-20-14-16-22-34(30)40-26-32(38)24-36-28(3)4/h13-16,19-22,27-28,31-32,35-38H,5-12,17-18,23-26H2,1-4H3/t31-,32-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Leucyl-cystinyl aminopeptidase
(Homo sapiens (Human)) | BDBM50614477
(CHEMBL5267589)Show SMILES CCC[C@H](N1Cc2[nH]c3ccccc3c2C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CN)C(C)C)[C@@H](C)CC)C1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518979
(CHEMBL4434772)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H56N2O4/c1-27(2)35-23-31(37)25-39-33-21-15-13-19-29(33)17-11-9-7-5-6-8-10-12-18-30-20-14-16-22-34(30)40-26-32(38)24-36-28(3)4/h13-16,19-22,27-28,31-32,35-38H,5-12,17-18,23-26H2,1-4H3/t31-,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50024102
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50614464
(CHEMBL5281720)Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)CS)C(O)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50614471
(CHEMBL5266765)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1COc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518982
(CHEMBL4462252)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C34H51N9O4/c1-25(2)36-19-31(44)23-46-33-11-7-5-9-27(33)13-15-42-21-29(38-40-42)17-35-18-30-22-43(41-39-30)16-14-28-10-6-8-12-34(28)47-24-32(45)20-37-26(3)4/h5-12,21-22,25-26,31-32,35-37,44-45H,13-20,23-24H2,1-4H3/t31-,32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50614491
(CHEMBL5278521)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518974
(CHEMBL4574652)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C29H46N4O5/c1-21(2)32-17-25(34)19-37-27-11-7-5-9-23(27)13-15-30-29(36)31-16-14-24-10-6-8-12-28(24)38-20-26(35)18-33-22(3)4/h5-12,21-22,25-26,32-35H,13-20H2,1-4H3,(H2,30,31,36)/t25-,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518984
(CHEMBL4564189)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C33H54N4O5/c1-25(2)36-21-29(38)23-41-31-17-7-5-13-27(31)15-9-11-19-34-33(40)35-20-12-10-16-28-14-6-8-18-32(28)42-24-30(39)22-37-26(3)4/h5-8,13-14,17-18,25-26,29-30,36-39H,9-12,15-16,19-24H2,1-4H3,(H2,34,35,40)/t29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518993
(CHEMBL4527821)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C32H52N2O4/c1-25(2)33-21-29(35)23-37-31-19-13-11-17-27(31)15-9-7-5-6-8-10-16-28-18-12-14-20-32(28)38-24-30(36)22-34-26(3)4/h11-14,17-20,25-26,29-30,33-36H,5-10,15-16,21-24H2,1-4H3/t29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50614492
(CHEMBL5282233)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCCNC(=O)CC[C@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(N)=O |r| | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50614463
(CHEMBL5283332)Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](S)Cc1ccccc1)C(O)=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50614493
(CHEMBL5277977)Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(Cc2ccccc2C1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50614464
(CHEMBL5281720)Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)CS)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518973
(CHEMBL4473518)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C30H48N2O4/c1-23(2)31-19-27(33)21-35-29-17-11-9-15-25(29)13-7-5-6-8-14-26-16-10-12-18-30(26)36-22-28(34)20-32-24(3)4/h9-12,15-18,23-24,27-28,31-34H,5-8,13-14,19-22H2,1-4H3/t27-,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518981
(CHEMBL4594173)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCC(=O)NCCNC(=O)CCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H54N4O6/c1-25(2)37-21-29(39)23-43-31-15-7-5-11-27(31)13-9-17-33(41)35-19-20-36-34(42)18-10-14-28-12-6-8-16-32(28)44-24-30(40)22-38-26(3)4/h5-8,11-12,15-16,25-26,29-30,37-40H,9-10,13-14,17-24H2,1-4H3,(H,35,41)(H,36,42)/t29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM50614467
(CHEMBL5279614)Show SMILES OC(=O)CN1Cc2ccccc2C[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Neprilysin
(Homo sapiens (Human)) | BDBM50614466
(CHEMBL5272537)Show SMILES [H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | >10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518975
(CHEMBL4450606)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCC(=O)NCCNC(=O)CCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C32H50N4O6/c1-23(2)35-19-27(37)21-41-29-11-7-5-9-25(29)13-15-31(39)33-17-18-34-32(40)16-14-26-10-6-8-12-30(26)42-22-28(38)20-36-24(3)4/h5-12,23-24,27-28,35-38H,13-22H2,1-4H3,(H,33,39)(H,34,40)/t27-,28-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50614470
(CHEMBL5279008)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CSc2ccccc2N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C1=O |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518976
(CHEMBL4442559)Show SMILES CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C32H47N9O4/c1-23(2)34-15-29(42)21-44-31-11-7-5-9-25(31)17-40-19-27(36-38-40)13-33-14-28-20-41(39-37-28)18-26-10-6-8-12-32(26)45-22-30(43)16-35-24(3)4/h5-12,19-20,23-24,29-30,33-35,42-43H,13-18,21-22H2,1-4H3/t29-,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518972
(CHEMBL1395661)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518974
(CHEMBL4574652)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCNC(=O)NCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C29H46N4O5/c1-21(2)32-17-25(34)19-37-27-11-7-5-9-23(27)13-15-30-29(36)31-16-14-24-10-6-8-12-28(24)38-20-26(35)18-33-22(3)4/h5-12,21-22,25-26,32-35H,13-20H2,1-4H3,(H2,30,31,36)/t25-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this
Ligand-Target Pair | |
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