Found 537 hits with Last Name = 'shao' and Initial = 'x' 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 |
|---|
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM47032
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) | PDB
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PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins |
ACS Med Chem Lett 3: 936-941 (2012)
Article DOI: 10.1021/ml300216t
BindingDB Entry DOI: 10.7270/Q2Z320TV |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271443
(CHEMBL522293 | Tyr-Pro-Phe-Phe-OCH2OH)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 |r| Show InChI InChI=1S/C32H38N4O5/c33-27(19-24-13-15-26(38)16-14-24)32(41)36-17-7-12-29(36)31(40)35-28(20-23-10-5-2-6-11-23)30(39)34-25(21-37)18-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,37-38H,7,12,17-21,33H2,(H,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 6.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292208
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H37N5O5/c33-26(17-23-11-13-25(38)14-12-23)32(42)37-16-15-24(20-37)30(40)36-28(19-22-9-5-2-6-10-22)31(41)35-27(29(34)39)18-21-7-3-1-4-8-21/h1-14,24,26-28,38H,15-20,33H2,(H2,34,39)(H,35,41)(H,36,40)/t24-,26+,27+,28+/m1/s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50139013
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1 | PDB
Reactome pathway
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| 8.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8296
(3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4| Show InChI InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
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antibodypedia
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PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate... |
ACS Med Chem Lett 6: 548-52 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00044
BindingDB Entry DOI: 10.7270/Q2348N35 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50163909
(CHEMBL361922 | Tyr-Pro-Phe-Phe-OCH3 | Tyr-Pro-Phe-...)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H38N4O6/c1-43-33(42)28(21-23-11-6-3-7-12-23)36-30(39)27(20-22-9-4-2-5-10-22)35-31(40)29-13-8-18-37(29)32(41)26(34)19-24-14-16-25(38)17-15-24/h2-7,9-12,14-17,26-29,38H,8,13,18-21,34H2,1H3,(H,35,40)(H,36,39)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 9.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50163913
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 9.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271441
(CHEMBL505502 | Tyr-Pro-Phe-Phe-OCH2CH3)Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C34H40N4O6/c1-2-44-34(43)29(22-24-12-7-4-8-13-24)37-31(40)28(21-23-10-5-3-6-11-23)36-32(41)30-14-9-19-38(30)33(42)27(35)20-25-15-17-26(39)18-16-25/h3-8,10-13,15-18,27-30,39H,2,9,14,19-22,35H2,1H3,(H,36,41)(H,37,40)/t27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271439
(CHEMBL453689 | Tyr-Pro-Phe-Phe-NHCH3)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H39N5O5/c1-35-30(40)27(20-22-9-4-2-5-10-22)36-31(41)28(21-23-11-6-3-7-12-23)37-32(42)29-13-8-18-38(29)33(43)26(34)19-24-14-16-25(39)17-15-24/h2-7,9-12,14-17,26-29,39H,8,13,18-21,34H2,1H3,(H,35,40)(H,36,41)(H,37,42)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| 29.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271442
(CHEMBL500195 | Tyr-Pro-Phe-Phe-OC(CH3)3)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C36H44N4O6/c1-36(2,3)46-35(45)30(23-25-13-8-5-9-14-25)39-32(42)29(22-24-11-6-4-7-12-24)38-33(43)31-15-10-20-40(31)34(44)28(37)21-26-16-18-27(41)19-17-26/h4-9,11-14,16-19,28-31,41H,10,15,20-23,37H2,1-3H3,(H,38,43)(H,39,42)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 50.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271442
(CHEMBL500195 | Tyr-Pro-Phe-Phe-OC(CH3)3)Show SMILES CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C36H44N4O6/c1-36(2,3)46-35(45)30(23-25-13-8-5-9-14-25)39-32(42)29(22-24-11-6-4-7-12-24)38-33(43)31-15-10-20-40(31)34(44)28(37)21-26-16-18-27(41)19-17-26/h4-9,11-14,16-19,28-31,41H,10,15,20-23,37H2,1-3H3,(H,38,43)(H,39,42)/t28-,29-,30-,31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 247 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271440
(CHEMBL505975 | Tyr-Pro-Phe-Phe-N(CH3)2)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C34H41N5O5/c1-38(2)34(44)29(22-24-12-7-4-8-13-24)37-31(41)28(21-23-10-5-3-6-11-23)36-32(42)30-14-9-19-39(30)33(43)27(35)20-25-15-17-26(40)18-16-25/h3-8,10-13,15-18,27-30,40H,9,14,19-22,35H2,1-2H3,(H,36,42)(H,37,41)/t27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 273 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292217
((S)-2-{(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pro...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ON[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C31H37N5O5/c32-25(18-23-13-15-24(37)16-14-23)31(40)36-17-7-12-28(36)41-35-27(20-22-10-5-2-6-11-22)30(39)34-26(29(33)38)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,35,37H,7,12,17-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28+/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 434 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292210
((R)-2-{(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pro...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ON[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C31H37N5O5/c32-25(18-23-13-15-24(37)16-14-23)31(40)36-17-7-12-28(36)41-35-27(20-22-10-5-2-6-11-22)30(39)34-26(29(33)38)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,35,37H,7,12,17-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271441
(CHEMBL505502 | Tyr-Pro-Phe-Phe-OCH2CH3)Show SMILES CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C34H40N4O6/c1-2-44-34(43)29(22-24-12-7-4-8-13-24)37-31(40)28(21-23-10-5-3-6-11-23)36-32(41)30-14-9-19-38(30)33(42)27(35)20-25-15-17-26(39)18-16-25/h3-8,10-13,15-18,27-30,39H,2,9,14,19-22,35H2,1H3,(H,36,41)(H,37,40)/t27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292207
((R)-2-{(S)-1-[2-Amino-3-((S)-4-hydroxy-phenyl)-pro...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1\C=N\O[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H37N5O5/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-35-42-29(20-23-10-5-2-6-11-23)31(40)36-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,21,25,27-29,38H,7,12,17-20,33H2,(H2,34,39)(H,36,40)/b35-21+/t25-,27-,28-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50139013
((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26-,27-,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292208
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H37N5O5/c33-26(17-23-11-13-25(38)14-12-23)32(42)37-16-15-24(20-37)30(40)36-28(19-22-9-5-2-6-10-22)31(41)35-27(29(34)39)18-21-7-3-1-4-8-21/h1-14,24,26-28,38H,15-20,33H2,(H2,34,39)(H,35,41)(H,36,40)/t24-,26+,27+,28+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271439
(CHEMBL453689 | Tyr-Pro-Phe-Phe-NHCH3)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H39N5O5/c1-35-30(40)27(20-22-9-4-2-5-10-22)36-31(41)28(21-23-11-6-3-7-12-23)37-32(42)29-13-8-18-38(29)33(43)26(34)19-24-14-16-25(39)17-15-24/h2-7,9-12,14-17,26-29,39H,8,13,18-21,34H2,1H3,(H,35,40)(H,36,41)(H,37,42)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292216
((S)-2-[1-Amino-2-((R)-4-hydroxy-phenyl)-ethoxyamin...)Show SMILES N[C@@H](Cc1ccc(O)cc1)ON[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H39N5O5/c36-32(23-27-16-18-28(41)19-17-27)45-40-31(22-26-14-8-3-9-15-26)35(44)39-30(21-25-12-6-2-7-13-25)34(43)38-29(33(37)42)20-24-10-4-1-5-11-24/h1-19,29-32,40-41H,20-23,36H2,(H2,37,42)(H,38,43)(H,39,44)/t29-,30-,31-,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292215
((R)-2-{(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pro...)Show SMILES C[C@@H](NO[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C25H33N5O5/c1-16(24(33)28-21(23(27)32)15-17-6-3-2-4-7-17)29-35-22-8-5-13-30(22)25(34)20(26)14-18-9-11-19(31)12-10-18/h2-4,6-7,9-12,16,20-22,29,31H,5,8,13-15,26H2,1H3,(H2,27,32)(H,28,33)/t16-,20+,21+,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292212
((R)-2-[1-Amino-2-((R)-4-hydroxy-phenyl)-ethoxyamin...)Show SMILES N[C@@H](Cc1ccc(O)cc1)ON[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H39N5O5/c36-32(23-27-16-18-28(41)19-17-27)45-40-31(22-26-14-8-3-9-15-26)35(44)39-30(21-25-12-6-2-7-13-25)34(43)38-29(33(37)42)20-24-10-4-1-5-11-24/h1-19,29-32,40-41H,20-23,36H2,(H2,37,42)(H,38,43)(H,39,44)/t29-,30-,31+,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292213
(2-((S)-2-{2-[1-Amino-2-((R)-4-hydroxy-phenyl)-etho...)Show SMILES N[C@@H](Cc1ccc(O)cc1)ONCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C28H33N5O5/c29-25(17-21-11-13-22(34)14-12-21)38-31-18-26(35)32-24(16-20-9-5-2-6-10-20)28(37)33-23(27(30)36)15-19-7-3-1-4-8-19/h1-14,23-25,31,34H,15-18,29H2,(H2,30,36)(H,32,35)(H,33,37)/t23-,24-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292211
((S)-2-[1-Amino-2-((R)-4-hydroxy-phenyl)-ethoxyamin...)Show SMILES C[C@H](NO[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H35N5O5/c1-19(34-39-26(30)18-22-12-14-23(35)15-13-22)28(37)33-25(17-21-10-6-3-7-11-21)29(38)32-24(27(31)36)16-20-8-4-2-5-9-20/h2-15,19,24-26,34-35H,16-18,30H2,1H3,(H2,31,36)(H,32,38)(H,33,37)/t19-,24-,25-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292212
((R)-2-[1-Amino-2-((R)-4-hydroxy-phenyl)-ethoxyamin...)Show SMILES N[C@@H](Cc1ccc(O)cc1)ON[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H39N5O5/c36-32(23-27-16-18-28(41)19-17-27)45-40-31(22-26-14-8-3-9-15-26)35(44)39-30(21-25-12-6-2-7-13-25)34(43)38-29(33(37)42)20-24-10-4-1-5-11-24/h1-19,29-32,40-41H,20-23,36H2,(H2,37,42)(H,38,43)(H,39,44)/t29-,30-,31+,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292211
((S)-2-[1-Amino-2-((R)-4-hydroxy-phenyl)-ethoxyamin...)Show SMILES C[C@H](NO[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H35N5O5/c1-19(34-39-26(30)18-22-12-14-23(35)15-13-22)28(37)33-25(17-21-10-6-3-7-11-21)29(38)32-24(27(31)36)16-20-8-4-2-5-9-20/h2-15,19,24-26,34-35H,16-18,30H2,1H3,(H2,31,36)(H,32,38)(H,33,37)/t19-,24-,25-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292210
((R)-2-{(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pro...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ON[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C31H37N5O5/c32-25(18-23-13-15-24(37)16-14-23)31(40)36-17-7-12-28(36)41-35-27(20-22-10-5-2-6-11-22)30(39)34-26(29(33)38)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,35,37H,7,12,17-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27+,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50163913
(CHEMBL180777 | Tyr-Pro-Phe-Phe-NHNH2)Show SMILES NNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C32H38N6O5/c33-25(18-23-13-15-24(39)16-14-23)32(43)38-17-7-12-28(38)31(42)36-26(19-21-8-3-1-4-9-21)29(40)35-27(30(41)37-34)20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-28,39H,7,12,17-20,33-34H2,(H,35,40)(H,36,42)(H,37,41)/t25-,26-,27-,28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271440
(CHEMBL505975 | Tyr-Pro-Phe-Phe-N(CH3)2)Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C34H41N5O5/c1-38(2)34(44)29(22-24-12-7-4-8-13-24)37-31(41)28(21-23-10-5-3-6-11-23)36-32(42)30-14-9-19-39(30)33(43)27(35)20-25-15-17-26(40)18-16-25/h3-8,10-13,15-18,27-30,40H,9,14,19-22,35H2,1-2H3,(H,36,42)(H,37,41)/t27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50163909
(CHEMBL361922 | Tyr-Pro-Phe-Phe-OCH3 | Tyr-Pro-Phe-...)Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H38N4O6/c1-43-33(42)28(21-23-11-6-3-7-12-23)36-30(39)27(20-22-9-4-2-5-10-22)35-31(40)29-13-8-18-37(29)32(41)26(34)19-24-14-16-25(38)17-15-24/h2-7,9-12,14-17,26-29,38H,8,13,18-21,34H2,1H3,(H,35,40)(H,36,39)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50271443
(CHEMBL522293 | Tyr-Pro-Phe-Phe-OCH2OH)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 |r| Show InChI InChI=1S/C32H38N4O5/c33-27(19-24-13-15-26(38)16-14-24)32(41)36-17-7-12-29(36)31(40)35-28(20-23-10-5-2-6-11-23)30(39)34-25(21-37)18-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,37-38H,7,12,17-21,33H2,(H,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membrane |
Bioorg Med Chem 16: 6415-22 (2008)
Article DOI: 10.1016/j.bmc.2008.05.001
BindingDB Entry DOI: 10.7270/Q2RR1Z1F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292209
((S)-2-(2-{(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ONCC(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C24H31N5O5/c25-19(13-17-8-10-18(30)11-9-17)24(33)29-12-4-7-22(29)34-27-15-21(31)28-20(23(26)32)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,22,27,30H,4,7,12-15,25H2,(H2,26,32)(H,28,31)/t19-,20-,22+/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292213
(2-((S)-2-{2-[1-Amino-2-((R)-4-hydroxy-phenyl)-etho...)Show SMILES N[C@@H](Cc1ccc(O)cc1)ONCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C28H33N5O5/c29-25(17-21-11-13-22(34)14-12-21)38-31-18-26(35)32-24(16-20-9-5-2-6-10-20)28(37)33-23(27(30)36)15-19-7-3-1-4-8-19/h1-14,23-25,31,34H,15-18,29H2,(H2,30,36)(H,32,35)(H,33,37)/t23-,24-,25+/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292209
((S)-2-(2-{(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ONCC(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C24H31N5O5/c25-19(13-17-8-10-18(30)11-9-17)24(33)29-12-4-7-22(29)34-27-15-21(31)28-20(23(26)32)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,22,27,30H,4,7,12-15,25H2,(H2,26,32)(H,28,31)/t19-,20-,22+/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292215
((R)-2-{(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pro...)Show SMILES C[C@@H](NO[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C25H33N5O5/c1-16(24(33)28-21(23(27)32)15-17-6-3-2-4-7-17)29-35-22-8-5-13-30(22)25(34)20(26)14-18-9-11-19(31)12-10-18/h2-4,6-7,9-12,16,20-22,29,31H,5,8,13-15,26H2,1H3,(H2,27,32)(H,28,33)/t16-,20+,21+,22-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292217
((S)-2-{(R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pro...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1ON[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C31H37N5O5/c32-25(18-23-13-15-24(37)16-14-23)31(40)36-17-7-12-28(36)41-35-27(20-22-10-5-2-6-11-22)30(39)34-26(29(33)38)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,35,37H,7,12,17-20,32H2,(H2,33,38)(H,34,39)/t25-,26-,27-,28+/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292214
((S)-2-{(S)-1-[2-Amino-3-((S)-4-hydroxy-phenyl)-pro...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1\C=N\O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H37N5O5/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-35-42-29(20-23-10-5-2-6-11-23)31(40)36-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,21,25,27-29,38H,7,12,17-20,33H2,(H2,34,39)(H,36,40)/b35-21+/t25-,27-,28-,29-/m0/s1 | PDB
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| 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292207
((R)-2-{(S)-1-[2-Amino-3-((S)-4-hydroxy-phenyl)-pro...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1\C=N\O[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H37N5O5/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-35-42-29(20-23-10-5-2-6-11-23)31(40)36-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,21,25,27-29,38H,7,12,17-20,33H2,(H2,34,39)(H,36,40)/b35-21+/t25-,27-,28-,29+/m0/s1 | PDB
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| 3.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50292214
((S)-2-{(S)-1-[2-Amino-3-((S)-4-hydroxy-phenyl)-pro...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1\C=N\O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H37N5O5/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-35-42-29(20-23-10-5-2-6-11-23)31(40)36-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,21,25,27-29,38H,7,12,17-20,33H2,(H2,34,39)(H,36,40)/b35-21+/t25-,27-,28-,29-/m0/s1 | PDB
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| 4.08E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membrane |
Bioorg Med Chem Lett 15: 2986-2989 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.050
BindingDB Entry DOI: 10.7270/Q2765FBM |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| DrugBank
PDB
Article
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| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay |
Eur J Med Chem 103: 80-90 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.045
BindingDB Entry DOI: 10.7270/Q2T155GN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
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Article
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea... |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709
BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130339
(CHEMBL3633294)Show SMILES Nc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)c12 Show InChI InChI=1S/C20H16ClN5O/c21-13-5-2-7-15(11-13)24-20(27)23-14-6-1-4-12(10-14)16-8-3-9-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27) | PDB
MMDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay |
Eur J Med Chem 103: 80-90 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.045
BindingDB Entry DOI: 10.7270/Q2T155GN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50446130
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description
Inhibition of PARP2 (unknown origin) |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709
BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea... |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709
BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50034641
(CHEMBL3360415)Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r| Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-Sen University
Curated by ChEMBL
| Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis |
J Med Chem 57: 10304-13 (2014)
Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50501829
(CHEMBL4529965)Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13- | PDB
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| n/a | n/a | 0.646 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea... |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709
BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM50501829
(CHEMBL4529965)Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)NCCc1nc2c(cccc2[nH]1)C(N)=O Show InChI InChI=1S/C27H21N5O5/c28-25(34)16-3-2-6-19-22(16)32-21(31-19)11-12-30-27(36)15-9-7-14(8-10-15)13-20-23(33)17-4-1-5-18(26(29)35)24(17)37-20/h1-10,13H,11-12H2,(H2,28,34)(H2,29,35)(H,30,36)(H,31,32)/b20-13- | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea... |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709
BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130328
(CHEMBL3633304)Show SMILES Nc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)c3)c12 Show InChI InChI=1S/C21H15ClF3N5O/c22-16-8-7-13(10-15(16)21(23,24)25)28-20(31)27-12-4-1-3-11(9-12)14-5-2-6-17-18(14)19(26)30-29-17/h1-10H,(H3,26,29,30)(H2,27,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR-2 (unknown origin) after 1 hr by ADP-Glo assay |
Eur J Med Chem 103: 80-90 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.045
BindingDB Entry DOI: 10.7270/Q2T155GN |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50446130
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 (unknown origin) |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709
BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Appetite-regulating hormone
(Homo sapiens (Human)) | BDBM50593269
(CHEMBL5177247)Show SMILES CCCCCCC(C)CSC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.933 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00339
BindingDB Entry DOI: 10.7270/Q27P93DQ |
More data for this
Ligand-Target Pair | |
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