Found 10 hits for monomerid = 50499066 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 |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Neurokinin 1 receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Displacement of [3H]SP from recombinant human neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Neurokinin 1 receptor
(Rattus norvegicus (rat)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Displacement of [3H]SP from rat neurokinin-1 receptor expressed in CHO cells incubated for 20 mins by liquid scintillation counting |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Agonist activity at mu opioid receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by bi... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Binding affinity to delta opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Opioid receptors; mu and delta
(MOUSE) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Agonist activity at delta opioid receptor in ICR mouse isolated vas deferens assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Agonist activity at delta receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation by biolum... |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/s1 | UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Agonist activity at mu opioid receptor in Hartley guniea pig isolated ileum assessed as inhibition of electrically-stimulated muscle contraction |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50499066
(CHEMBL4299371)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C57H67F6N9O8/c1-31(2)19-45(53(78)69-46(25-37-29-65-44-16-11-10-15-41(37)44)52(77)66-28-36-22-38(56(58,59)60)26-39(23-36)57(61,62)63)70-54(79)47-17-12-18-72(47)55(80)48(24-35-13-8-7-9-14-35)71(6)49(74)30-67-50(75)34(5)68-51(76)43(64)27-42-32(3)20-40(73)21-33(42)4/h7-11,13-16,20-23,26,29,31,34,43,45-48,65,73H,12,17-19,24-25,27-28,30,64H2,1-6H3,(H,66,77)(H,67,75)(H,68,76)(H,69,78)(H,70,79)/t34-,43-,45-,46-,47-,48-/m0/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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description Binding affinity to mu opioid receptor (unknown origin) |
J Med Chem 58: 8573-83 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01170 BindingDB Entry DOI: 10.7270/Q2VT1W34 |
More data for this Ligand-Target Pair | |