Found 3 hits for monomerid = 50020711 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50020711
(CHEMBL3291216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@@]2(OCCF)C=C1)ccc3O |r,wU:13.12,29.34,1.0,18.22,16.19,wD:7.7,14.40,c:39,THB:10:9:14:4.5.6,(38.27,-13.82,;38.28,-12.11,;36.7,-13.02,;35.26,-12.11,;36.01,-10.81,;35.26,-9.49,;36.01,-8.17,;37.49,-8.17,;38.81,-7.4,;37.53,-6.64,;38.3,-5.29,;36.75,-7.61,;36.75,-9.48,;37.53,-10.81,;38.3,-9.49,;39.83,-9.49,;40.59,-10.82,;40.99,-9.32,;42.14,-10.83,;42.92,-9.49,;42.9,-12.17,;43.68,-10.83,;44.45,-9.49,;46,-9.48,;46.77,-10.83,;48.31,-10.82,;49.08,-9.48,;48.3,-8.14,;46.76,-8.15,;39.81,-12.14,;40.57,-13.47,;39.79,-14.81,;40.55,-16.15,;39.76,-17.49,;39.79,-10.63,;38.3,-11.04,;33.73,-9.49,;32.96,-10.81,;33.73,-12.11,;32.95,-13.46,)| Show InChI InChI=1S/C31H36FNO4/c1-28(35,11-10-20-6-4-3-5-7-20)23-19-29-12-13-31(23,36-17-15-32)27-30(29)14-16-33(2)24(29)18-21-8-9-22(34)26(37-27)25(21)30/h3-9,12-13,23-24,27,34-35H,10-11,14-19H2,1-2H3/t23-,24-,27-,28+,29-,30+,31+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned kappa opioid receptor expressed in HEK293 cells by radioligand displacement assay |
J Med Chem 57: 5464-9 (2014)
Article DOI: 10.1021/jm500503k
BindingDB Entry DOI: 10.7270/Q2RB764T |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50020711
(CHEMBL3291216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@@]2(OCCF)C=C1)ccc3O |r,wU:13.12,29.34,1.0,18.22,16.19,wD:7.7,14.40,c:39,THB:10:9:14:4.5.6,(38.27,-13.82,;38.28,-12.11,;36.7,-13.02,;35.26,-12.11,;36.01,-10.81,;35.26,-9.49,;36.01,-8.17,;37.49,-8.17,;38.81,-7.4,;37.53,-6.64,;38.3,-5.29,;36.75,-7.61,;36.75,-9.48,;37.53,-10.81,;38.3,-9.49,;39.83,-9.49,;40.59,-10.82,;40.99,-9.32,;42.14,-10.83,;42.92,-9.49,;42.9,-12.17,;43.68,-10.83,;44.45,-9.49,;46,-9.48,;46.77,-10.83,;48.31,-10.82,;49.08,-9.48,;48.3,-8.14,;46.76,-8.15,;39.81,-12.14,;40.57,-13.47,;39.79,-14.81,;40.55,-16.15,;39.76,-17.49,;39.79,-10.63,;38.3,-11.04,;33.73,-9.49,;32.96,-10.81,;33.73,-12.11,;32.95,-13.46,)| Show InChI InChI=1S/C31H36FNO4/c1-28(35,11-10-20-6-4-3-5-7-20)23-19-29-12-13-31(23,36-17-15-32)27-30(29)14-16-33(2)24(29)18-21-8-9-22(34)26(37-27)25(21)30/h3-9,12-13,23-24,27,34-35H,10-11,14-19H2,1-2H3/t23-,24-,27-,28+,29-,30+,31+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
University of Oslo
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned mu opioid receptor expressed in CHO cells by radioligand displacement assay |
J Med Chem 57: 5464-9 (2014)
Article DOI: 10.1021/jm500503k
BindingDB Entry DOI: 10.7270/Q2RB764T |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50020711
(CHEMBL3291216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]51C[C@]([H])([C@@](C)(O)CCc4ccccc4)[C@@]2(OCCF)C=C1)ccc3O |r,wU:13.12,29.34,1.0,18.22,16.19,wD:7.7,14.40,c:39,THB:10:9:14:4.5.6,(38.27,-13.82,;38.28,-12.11,;36.7,-13.02,;35.26,-12.11,;36.01,-10.81,;35.26,-9.49,;36.01,-8.17,;37.49,-8.17,;38.81,-7.4,;37.53,-6.64,;38.3,-5.29,;36.75,-7.61,;36.75,-9.48,;37.53,-10.81,;38.3,-9.49,;39.83,-9.49,;40.59,-10.82,;40.99,-9.32,;42.14,-10.83,;42.92,-9.49,;42.9,-12.17,;43.68,-10.83,;44.45,-9.49,;46,-9.48,;46.77,-10.83,;48.31,-10.82,;49.08,-9.48,;48.3,-8.14,;46.76,-8.15,;39.81,-12.14,;40.57,-13.47,;39.79,-14.81,;40.55,-16.15,;39.76,-17.49,;39.79,-10.63,;38.3,-11.04,;33.73,-9.49,;32.96,-10.81,;33.73,-12.11,;32.95,-13.46,)| Show InChI InChI=1S/C31H36FNO4/c1-28(35,11-10-20-6-4-3-5-7-20)23-19-29-12-13-31(23,36-17-15-32)27-30(29)14-16-33(2)24(29)18-21-8-9-22(34)26(37-27)25(21)30/h3-9,12-13,23-24,27,34-35H,10-11,14-19H2,1-2H3/t23-,24-,27-,28+,29-,30+,31+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Binding affinity to human cloned delta opioid receptor expressed in CHO cells by radioligand displacement assay |
J Med Chem 57: 5464-9 (2014)
Article DOI: 10.1021/jm500503k
BindingDB Entry DOI: 10.7270/Q2RB764T |
More data for this
Ligand-Target Pair | |
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