Found 1849 hits with Last Name = 'cai' and Initial = 'c' 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 |
|---|
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393719
(CHEMBL2159118)Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C29H32N4O2/c1-19-14-24(34)15-20(2)25(19)16-26(30)29(35)33(18-22-10-6-4-7-11-22)21(3)28-31-17-27(32-28)23-12-8-5-9-13-23/h4-15,17,21,26,34H,16,18,30H2,1-3H3,(H,31,32)/t21-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393725
(CHEMBL2159117)Show SMILES CC(C)N([C@@H](C)c1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H32N4O2/c1-15(2)29(18(5)24-27-14-23(28-24)19-9-7-6-8-10-19)25(31)22(26)13-21-16(3)11-20(30)12-17(21)4/h6-12,14-15,18,22,30H,13,26H2,1-5H3,(H,27,28)/t18-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182939
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182939
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182943
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182943
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182954
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C30H32N4O2/c1-18-13-24(35)14-19(2)25(18)16-26(31)30(36)34-17-23-12-8-7-11-22(23)15-27(34)29-32-20(3)28(33-29)21-9-5-4-6-10-21/h4-14,26-27,35H,15-17,31H2,1-3H3,(H,32,33)/t26-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182942
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393717
(CHEMBL2159116)Show SMILES C[C@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C23H28N4O2/c1-14-10-18(28)11-15(2)19(14)12-20(24)23(29)27(4)16(3)22-25-13-21(26-22)17-8-6-5-7-9-17/h5-11,13,16,20,28H,12,24H2,1-4H3,(H,25,26)/t16-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393716
(CHEMBL2159115)Show SMILES CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182942
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182946
(4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazo...)Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C26H31N5O2/c1-16-12-19(24(28)32)13-17(2)20(16)14-21(27)26(33)31-11-7-6-10-23(31)25-29-15-22(30-25)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23H,6-7,10-11,14,27H2,1-2H3,(H2,28,32)(H,29,30)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182946
(4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazo...)Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C26H31N5O2/c1-16-12-19(24(28)32)13-17(2)20(16)14-21(27)26(33)31-11-7-6-10-23(31)25-29-15-22(30-25)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23H,6-7,10-11,14,27H2,1-2H3,(H2,28,32)(H,29,30)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182942
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182942
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393721
(CHEMBL2159114)Show SMILES CN(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N4O2/c1-14-9-17(27)10-15(2)18(14)11-19(23)22(28)26(3)13-21-24-12-20(25-21)16-7-5-4-6-8-16/h4-10,12,19,27H,11,13,23H2,1-3H3,(H,24,25)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393722
(CHEMBL2159119)Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C30H33N5O2/c1-19-14-24(28(32)36)15-20(2)25(19)16-26(31)30(37)35(18-22-10-6-4-7-11-22)21(3)29-33-17-27(34-29)23-12-8-5-9-13-23/h4-15,17,21,26H,16,18,31H2,1-3H3,(H2,32,36)(H,33,34)/t21-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182954
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C30H32N4O2/c1-18-13-24(35)14-19(2)25(18)16-26(31)30(36)34-17-23-12-8-7-11-22(23)15-27(34)29-32-20(3)28(33-29)21-9-5-4-6-10-21/h4-14,26-27,35H,15-17,31H2,1-3H3,(H,32,33)/t26-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50154035
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393724
(CHEMBL2159120)Show SMILES C[C@H](N(Cc1cccc(c1)C(O)=O)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N5O4/c1-18-12-24(28(33)37)13-19(2)25(18)15-26(32)30(38)36(17-21-8-7-11-23(14-21)31(39)40)20(3)29-34-16-27(35-29)22-9-5-4-6-10-22/h4-14,16,20,26H,15,17,32H2,1-3H3,(H2,33,37)(H,34,35)(H,39,40)/t20-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50154036
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50154036
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393720
(CHEMBL2159122 | CHEMBL3216329)Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O Show InChI InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393724
(CHEMBL2159120)Show SMILES C[C@H](N(Cc1cccc(c1)C(O)=O)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N5O4/c1-18-12-24(28(33)37)13-19(2)25(18)15-26(32)30(38)36(17-21-8-7-11-23(14-21)31(39)40)20(3)29-34-16-27(35-29)22-9-5-4-6-10-22/h4-14,16,20,26H,15,17,32H2,1-3H3,(H2,33,37)(H,34,35)(H,39,40)/t20-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50080924
(CHEMBL83260 | N-[(S)-1-(1-Carbamimidoyl-piperidin-...)Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3Cl)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C34H40ClN7O4S/c35-26-13-5-4-12-25(26)19-28-33(46)40(15-6-10-23-8-2-1-3-9-23)22-30(44)42(28)21-29(43)39-27(31(45)32-38-14-17-47-32)18-24-11-7-16-41(20-24)34(36)37/h1-5,8-9,12-14,17,24,27-28H,6-7,10-11,15-16,18-22H2,(H3,36,37)(H,39,43)/t24?,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 9: 2503-8 (1999)
BindingDB Entry DOI: 10.7270/Q2028QRW |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182944
(4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazo...)Show SMILES N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C24H27N5O2/c25-19(14-16-9-11-18(12-10-16)22(26)30)24(31)29-13-5-4-8-21(29)23-27-15-20(28-23)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21H,4-5,8,13-14,25H2,(H2,26,30)(H,27,28)/t19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182947
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)Show SMILES N[C@@H](Cc1ccc(cc1)C(N)=O)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C28H27N5O2/c29-23(14-18-10-12-20(13-11-18)26(30)34)28(35)33-17-22-9-5-4-8-21(22)15-25(33)27-31-16-24(32-27)19-6-2-1-3-7-19/h1-13,16,23,25H,14-15,17,29H2,(H2,30,34)(H,31,32)/t23-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393720
(CHEMBL2159122 | CHEMBL3216329)Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O Show InChI InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50308567
(CHEMBL592891 | N-(4-acetylphenyl)-2-(4-(7-methyl-2...)Show SMILES CCCn1c2nc(-c3ccc(OCC(=O)Nc4ccc(cc4)C(C)=O)cc3)n(C)c2c(=O)n(CCC)c1=O Show InChI InChI=1S/C28H31N5O5/c1-5-15-32-26-24(27(36)33(16-6-2)28(32)37)31(4)25(30-26)20-9-13-22(14-10-20)38-17-23(35)29-21-11-7-19(8-12-21)18(3)34/h7-14H,5-6,15-17H2,1-4H3,(H,29,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de M£laga
Curated by ChEMBL
| Assay Description
Inhibition of adenosine A2B receptor |
Bioorg Med Chem 18: 2081-8 (2010)
Article DOI: 10.1016/j.bmc.2010.02.014
BindingDB Entry DOI: 10.7270/Q2QZ2B2K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182943
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393725
(CHEMBL2159117)Show SMILES CC(C)N([C@@H](C)c1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C25H32N4O2/c1-15(2)29(18(5)24-27-14-23(28-24)19-9-7-6-8-10-19)25(31)22(26)13-21-16(3)11-20(30)12-17(21)4/h6-12,14-15,18,22,30H,13,26H2,1-5H3,(H,27,28)/t18-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182943
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393719
(CHEMBL2159118)Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C29H32N4O2/c1-19-14-24(34)15-20(2)25(19)16-26(30)29(35)33(18-22-10-6-4-7-11-22)21(3)28-31-17-27(32-28)23-12-8-5-9-13-23/h4-15,17,21,26,34H,16,18,30H2,1-3H3,(H,31,32)/t21-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50154041
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(5-methyl...)Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C24H28N4O2/c1-16-22(18-7-3-2-4-8-18)27-23(26-16)21-9-5-6-14-28(21)24(30)20(25)15-17-10-12-19(29)13-11-17/h2-4,7-8,10-13,20-21,29H,5-6,9,14-15,25H2,1H3,(H,26,27)/t20-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50393720
(CHEMBL2159122 | CHEMBL3216329)Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O Show InChI InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182939
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182939
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50004566
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 2.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de M£laga
Curated by ChEMBL
| Assay Description
Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in in human HeLa cell membrane |
Bioorg Med Chem 18: 2081-8 (2010)
Article DOI: 10.1016/j.bmc.2010.02.014
BindingDB Entry DOI: 10.7270/Q2QZ2B2K |
More data for this
Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50053929
(CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...)Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de M£laga
Curated by ChEMBL
| Assay Description
Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in human HeLa cell membrane |
Bioorg Med Chem 18: 2081-8 (2010)
Article DOI: 10.1016/j.bmc.2010.02.014
BindingDB Entry DOI: 10.7270/Q2QZ2B2K |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50080911
(2-((S)-4-Benzyl-2-naphthalen-2-ylmethyl-3,6-dioxo-...)Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@@H](Cc3ccc4ccccc4c3)C(=O)N(Cc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C36H39N7O4S/c37-36(38)41-15-6-9-26(21-41)18-29(33(46)34-39-14-16-48-34)40-31(44)22-43-30(19-25-12-13-27-10-4-5-11-28(27)17-25)35(47)42(23-32(43)45)20-24-7-2-1-3-8-24/h1-5,7-8,10-14,16-17,26,29-30H,6,9,15,18-23H2,(H3,37,38)(H,40,44)/t26?,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound required against thrombin was determined |
Bioorg Med Chem Lett 9: 2503-8 (1999)
BindingDB Entry DOI: 10.7270/Q2028QRW |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50182953
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(4-phenyl...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1 Show InChI InChI=1S/C23H26N4O2/c24-19(14-16-9-11-18(28)12-10-16)23(29)27-13-5-4-8-21(27)22-25-15-20(26-22)17-6-2-1-3-7-17/h1-3,6-7,9-12,15,19,21,28H,4-5,8,13-14,24H2,(H,25,26)/t19-,21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain |
Bioorg Med Chem Lett 16: 2505-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.082
BindingDB Entry DOI: 10.7270/Q29G5MDZ |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(NEONATAL RAT) | BDBM50471340
(CHEMBL317912)Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay |
J Med Chem 47: 3220-35 (2004)
Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1 |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50308566
(8-(4-(3,6,9,12-tetraoxatricos-22-enyloxy)phenyl)-t...)Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCCOCCOCCOCCOCCCCCCCCCCC=C)cc1 Show InChI InChI=1S/C33H50N4O7/c1-4-5-6-7-8-9-10-11-12-13-18-40-19-20-41-21-22-42-23-24-43-25-26-44-28-16-14-27(15-17-28)30-34-29-31(35-30)36(2)33(39)37(3)32(29)38/h4,14-17H,1,5-13,18-26H2,2-3H3,(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de M£laga
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane |
Bioorg Med Chem 18: 2081-8 (2010)
Article DOI: 10.1016/j.bmc.2010.02.014
BindingDB Entry DOI: 10.7270/Q2QZ2B2K |
More data for this
Ligand-Target Pair | |
Glucose-dependent insulinotropic receptor
(Homo sapiens (Human)) | BDBM50424575
(CHEMBL2312159)Show SMILES Cc1c(Oc2ccc(cc2F)-n2cnnn2)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C |TLB:28:27:24:22.21.20,20:21:29:26.25.24,20:25:29:22.28.21,19:20:29.27.26:24,THB:28:21:29.27.26:24,30:29:24:22.21.20| Show InChI InChI=1S/C25H29FN8O3/c1-14-22(27-12-28-23(14)36-21-6-5-15(11-20(21)26)32-13-29-30-31-32)33-16-7-18-9-17(33)10-19(8-16)34(18)24(35)37-25(2,3)4/h5-6,11-13,16-19H,7-10H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay |
J Med Chem 56: 301-19 (2013)
Article DOI: 10.1021/jm301626p
BindingDB Entry DOI: 10.7270/Q2BG2Q91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50080920
(CHEMBL313769 | N-[(S)-1-(1-Carbamimidoyl-piperidin...)Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccc(Cl)c(Cl)c3)C(=O)N(CCCc3ccccc3)CC2=O)C(=O)c2nccs2)C1 Show InChI InChI=1S/C34H39Cl2N7O4S/c35-25-11-10-23(16-26(25)36)18-28-33(47)41(13-4-8-22-6-2-1-3-7-22)21-30(45)43(28)20-29(44)40-27(31(46)32-39-12-15-48-32)17-24-9-5-14-42(19-24)34(37)38/h1-3,6-7,10-12,15-16,24,27-28H,4-5,8-9,13-14,17-21H2,(H3,37,38)(H,40,44)/t24?,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 9: 2503-8 (1999)
BindingDB Entry DOI: 10.7270/Q2028QRW |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50471340
(CHEMBL317912)Show InChI InChI=1S/C13H14N2O/c16-13-6-2-3-9-10(4-1-5-11(9)13)12-7-14-8-15-12/h2-3,6-8,10,16H,1,4-5H2,(H,14,15) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay |
J Med Chem 47: 3220-35 (2004)
Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50118703
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards rat submaxillary gland Alpha-1 adrenergic receptor; value ranges from (0.009 - 0.015) |
J Med Chem 45: 4395-7 (2002)
BindingDB Entry DOI: 10.7270/Q20001FV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50118703
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1 |t:18| Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay |
J Med Chem 47: 3220-35 (2004)
Article DOI: 10.1021/jm030551a
BindingDB Entry DOI: 10.7270/Q2HD7ZD1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393722
(CHEMBL2159119)Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C30H33N5O2/c1-19-14-24(28(32)36)15-20(2)25(19)16-26(31)30(37)35(18-22-10-6-4-7-11-22)21(3)29-33-17-27(34-29)23-12-8-5-9-13-23/h4-15,17,21,26H,16,18,31H2,1-3H3,(H2,32,36)(H,33,34)/t21-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat delta opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393727
(CHEMBL2159113)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C28H30N4O2/c1-18-13-22(33)14-19(2)23(18)16-24(29)28(34)32-25(15-20-9-5-3-6-10-20)27-30-17-26(31-27)21-11-7-4-8-12-21/h3-14,17,24-25,33H,15-16,29H2,1-2H3,(H,30,31)(H,32,34)/t24-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development, L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to rat mu opioid receptor |
Bioorg Med Chem Lett 22: 4869-72 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8 |
More data for this
Ligand-Target Pair | |
Search and Browse
