Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50511257' 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 |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511257
(CHEMBL4577693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C70H84N12O14S2/c1-67(2)48-33-44(97(90,91)92)20-23-51(48)80(5)54(67)13-8-6-9-14-55-68(3,4)49-34-45(98(93,94)95)21-24-52(49)82(55)29-11-7-10-15-57(84)74-37-59(86)76-39-61(88)77-38-60(87)75-36-58(85)72-27-12-28-73-66(71)78-43-19-22-50-46(32-43)47-35-70(89)56-31-42-18-25-53(83)64-62(42)69(70,65(96-64)63(47)79-50)26-30-81(56)40-41-16-17-41/h6,8-9,13-14,18-25,32-34,41,56,65,79,89H,7,10-12,15-17,26-31,35-40H2,1-5H3,(H10-,71,72,73,74,75,76,77,78,83,84,85,86,87,88,90,91,92,93,94,95)/t56-,65+,69+,70-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511257
(CHEMBL4577693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C70H84N12O14S2/c1-67(2)48-33-44(97(90,91)92)20-23-51(48)80(5)54(67)13-8-6-9-14-55-68(3,4)49-34-45(98(93,94)95)21-24-52(49)82(55)29-11-7-10-15-57(84)74-37-59(86)76-39-61(88)77-38-60(87)75-36-58(85)72-27-12-28-73-66(71)78-43-19-22-50-46(32-43)47-35-70(89)56-31-42-18-25-53(83)64-62(42)69(70,65(96-64)63(47)79-50)26-30-81(56)40-41-16-17-41/h6,8-9,13-14,18-25,32-34,41,56,65,79,89H,7,10-12,15-17,26-31,35-40H2,1-5H3,(H10-,71,72,73,74,75,76,77,78,83,84,85,86,87,88,90,91,92,93,94,95)/t56-,65+,69+,70-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KOR transiently expressed in CHOK1 cells measured after 20 mins by TIRF microscopic analysis |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
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