Found 8 hits of Enzyme Inhibition Constant Data 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)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from MOR (unknown origin) |
Bioorg Med Chem Lett 29: 1938-1942 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.045
BindingDB Entry DOI: 10.7270/Q2FR0113 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50522742
(CHEMBL4444522)Show SMILES OS(O)(=O)=O.[H][C@@]12CCN(C\C1=C\C)Cc1c([nH]c3ccccc13)C2=O |r| Show InChI InChI=1S/C17H18N2O.H2O4S/c1-2-11-9-19-8-7-12(11)17(20)16-14(10-19)13-5-3-4-6-15(13)18-16;1-5(2,3)4/h2-6,12,18H,7-10H2,1H3;(H2,1,2,3,4)/b11-2-;/t12-;/m1./s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from MOR (unknown origin) |
Bioorg Med Chem Lett 29: 1938-1942 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.045
BindingDB Entry DOI: 10.7270/Q2FR0113 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50522741
(CHEMBL4558121)Show SMILES OS(O)(=O)=O.CC12CCN(CC1)Cc1c([nH]c3ccccc13)C2=O |(16.62,-14.7,;17.97,-13.91,;19.33,-14.7,;17.18,-12.55,;18.76,-12.54,;7.58,-13.64,;8.94,-12.87,;7.86,-11.79,;7.86,-10.25,;8.94,-9.16,;10.36,-10.16,;10.36,-11.89,;10.48,-9.16,;11.57,-10.25,;11.57,-11.79,;13.03,-12.26,;13.94,-11.01,;15.47,-10.86,;16.09,-9.45,;15.19,-8.21,;13.65,-8.37,;13.03,-9.77,;10.48,-12.87,;11.08,-14.32,)| Show InChI InChI=1S/C16H18N2O/c1-16-6-8-18(9-7-16)10-12-11-4-2-3-5-13(11)17-14(12)15(16)19/h2-5,17H,6-10H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from MOR (unknown origin) |
Bioorg Med Chem Lett 29: 1938-1942 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.045
BindingDB Entry DOI: 10.7270/Q2FR0113 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50522740
(CHEMBL4468919)Show SMILES O=C1C2CCN(CC2)Cc2c1[nH]c1ccccc21 |(57.76,-24.19,;57.16,-22.74,;55.62,-22.74,;54.54,-21.66,;54.54,-20.12,;55.62,-19.03,;57.04,-20.02,;57.04,-21.75,;57.16,-19.03,;58.26,-20.12,;58.26,-21.66,;59.72,-22.13,;60.62,-20.88,;62.15,-20.72,;62.78,-19.32,;61.87,-18.08,;60.35,-18.24,;59.72,-19.65,)| Show InChI InChI=1S/C15H16N2O/c18-15-10-5-7-17(8-6-10)9-12-11-3-1-2-4-13(11)16-14(12)15/h1-4,10,16H,5-9H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from MOR (unknown origin) |
Bioorg Med Chem Lett 29: 1938-1942 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.045
BindingDB Entry DOI: 10.7270/Q2FR0113 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50522741
(CHEMBL4558121)Show SMILES OS(O)(=O)=O.CC12CCN(CC1)Cc1c([nH]c3ccccc13)C2=O |(16.62,-14.7,;17.97,-13.91,;19.33,-14.7,;17.18,-12.55,;18.76,-12.54,;7.58,-13.64,;8.94,-12.87,;7.86,-11.79,;7.86,-10.25,;8.94,-9.16,;10.36,-10.16,;10.36,-11.89,;10.48,-9.16,;11.57,-10.25,;11.57,-11.79,;13.03,-12.26,;13.94,-11.01,;15.47,-10.86,;16.09,-9.45,;15.19,-8.21,;13.65,-8.37,;13.03,-9.77,;10.48,-12.87,;11.08,-14.32,)| Show InChI InChI=1S/C16H18N2O/c1-16-6-8-18(9-7-16)10-12-11-4-2-3-5-13(11)17-14(12)15(16)19/h2-5,17H,6-10H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by cAMP assay |
Bioorg Med Chem Lett 29: 1938-1942 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.045
BindingDB Entry DOI: 10.7270/Q2FR0113 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50522742
(CHEMBL4444522)Show SMILES OS(O)(=O)=O.[H][C@@]12CCN(C\C1=C\C)Cc1c([nH]c3ccccc13)C2=O |r| Show InChI InChI=1S/C17H18N2O.H2O4S/c1-2-11-9-19-8-7-12(11)17(20)16-14(10-19)13-5-3-4-6-15(13)18-16;1-5(2,3)4/h2-6,12,18H,7-10H2,1H3;(H2,1,2,3,4)/b11-2-;/t12-;/m1./s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by cAMP assay |
Bioorg Med Chem Lett 29: 1938-1942 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.045
BindingDB Entry DOI: 10.7270/Q2FR0113 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by cAMP assay |
Bioorg Med Chem Lett 29: 1938-1942 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.045
BindingDB Entry DOI: 10.7270/Q2FR0113 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50522740
(CHEMBL4468919)Show SMILES O=C1C2CCN(CC2)Cc2c1[nH]c1ccccc21 |(57.76,-24.19,;57.16,-22.74,;55.62,-22.74,;54.54,-21.66,;54.54,-20.12,;55.62,-19.03,;57.04,-20.02,;57.04,-21.75,;57.16,-19.03,;58.26,-20.12,;58.26,-21.66,;59.72,-22.13,;60.62,-20.88,;62.15,-20.72,;62.78,-19.32,;61.87,-18.08,;60.35,-18.24,;59.72,-19.65,)| Show InChI InChI=1S/C15H16N2O/c18-15-10-5-7-17(8-6-10)9-12-11-3-1-2-4-13(11)16-14(12)15/h1-4,10,16H,5-9H2 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by cAMP assay |
Bioorg Med Chem Lett 29: 1938-1942 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.045
BindingDB Entry DOI: 10.7270/Q2FR0113 |
More data for this
Ligand-Target Pair | |
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