Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50034662 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
(Homo sapiens (Human)) | BDBM50365855
(CHEMBL1957843)Show SMILES CC[C@]1([C@H]2CN(CC3Cc4ccccc4C3O)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C24H30N2O3S/c1-3-24(18-8-6-9-19(12-18)25-30(2,28)29)21-14-26(15-22(21)24)13-17-11-16-7-4-5-10-20(16)23(17)27/h4-10,12,17,21-23,25,27H,3,11,13-15H2,1-2H3/t17?,21-,22+,23?,24+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50365855
(CHEMBL1957843)Show SMILES CC[C@]1([C@H]2CN(CC3Cc4ccccc4C3O)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C24H30N2O3S/c1-3-24(18-8-6-9-19(12-18)25-30(2,28)29)21-14-26(15-22(21)24)13-17-11-16-7-4-5-10-20(16)23(17)27/h4-10,12,17,21-23,25,27H,3,11,13-15H2,1-2H3/t17?,21-,22+,23?,24+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50365853
(CHEMBL1957717)Show SMILES C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H28N2O2S/c1-23(19-8-5-9-20(12-19)24-28(2,26)27)21-14-25(15-22(21)23)13-16-10-17-6-3-4-7-18(17)11-16/h3-9,12,16,21-22,24H,10-11,13-15H2,1-2H3/t21-,22+,23+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50365853
(CHEMBL1957717)Show SMILES C[C@]1([C@H]2CN(CC3Cc4ccccc4C3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H28N2O2S/c1-23(19-8-5-9-20(12-19)24-28(2,26)27)21-14-25(15-22(21)23)13-16-10-17-6-3-4-7-18(17)11-16/h3-9,12,16,21-22,24H,10-11,13-15H2,1-2H3/t21-,22+,23+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50365854
(CHEMBL1957842)Show SMILES CC[C@]1([C@H]2CN(CC(O)Cc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H30N2O3S/c1-3-23(18-10-7-11-19(13-18)24-29(2,27)28)21-15-25(16-22(21)23)14-20(26)12-17-8-5-4-6-9-17/h4-11,13,20-22,24,26H,3,12,14-16H2,1-2H3/t20?,21-,22+,23+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50349228
(CHEMBL1808384)Show SMILES C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O2S/c1-22(18-11-6-12-19(14-18)23-27(2,25)26)20-15-24(16-21(20)22)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,14,20-21,23H,7,10,13,15-16H2,1-2H3/t20-,21+,22+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50349228
(CHEMBL1808384)Show SMILES C[C@]1([C@H]2CN(CCCc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H28N2O2S/c1-22(18-11-6-12-19(14-18)23-27(2,25)26)20-15-24(16-21(20)22)13-7-10-17-8-4-3-5-9-17/h3-6,8-9,11-12,14,20-21,23H,7,10,13,15-16H2,1-2H3/t20-,21+,22+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50365854
(CHEMBL1957842)Show SMILES CC[C@]1([C@H]2CN(CC(O)Cc3ccccc3)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C23H30N2O3S/c1-3-23(18-10-7-11-19(13-18)24-29(2,27)28)21-15-25(16-22(21)23)14-20(26)12-17-8-5-4-6-9-17/h4-11,13,20-22,24,26H,3,12,14-16H2,1-2H3/t20?,21-,22+,23+ | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor |
Bioorg Med Chem Lett 22: 2200-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958 |
More data for this
Ligand-Target Pair | |
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