Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50040405 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 |
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 | |
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)) | 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)) | 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)) | 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)) | 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 | |
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 | |
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 | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50393718
(CHEMBL2159111)Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C22H26N4O2/c1-13-9-17(27)10-14(2)18(13)11-19(23)22(28)25-15(3)21-24-12-20(26-21)16-7-5-4-6-8-16/h4-10,12,15,19,27H,11,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | 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)) | 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
| 55 | 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)) | BDBM50393726
(CHEMBL2159112)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 121 | 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)) | BDBM50393728
(CHEMBL2159015)Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1nc(c[nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C20H22N4O2/c1-13(19-22-12-18(24-19)15-5-3-2-4-6-15)23-20(26)17(21)11-14-7-9-16(25)10-8-14/h2-10,12-13,17,25H,11,21H2,1H3,(H,22,24)(H,23,26)/t13-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.26E+3 | 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 | |
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