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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105771'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105771
PNG
(6-(4-chlorophenyl)-13-methoxy-19-(2-methylallyl)-(...)
Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13|
Show InChI InChI=1S/C30H29ClN2O3/c1-17(2)16-33-11-10-29-25-19-6-9-23(35-3)27(25)36-28(29)26-20(14-30(29,34)24(33)13-19)12-21(15-32-26)18-4-7-22(31)8-5-18/h4-9,12,15,24,28,34H,1,10-11,13-14,16H2,2-3H3/t24?,28-,29?,30+/m0/s1
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PC cid
PC sid
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Similars

PubMed
3.20E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 2883-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D79BZV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50105771
PNG
(6-(4-chlorophenyl)-13-methoxy-19-(2-methylallyl)-(...)
Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1ncc(cc1C[C@@]35O)-c1ccc(Cl)cc1 |TLB:28:27:19.5.6:8.14.13,THB:9:8:27:19.5.6,18:19:27:8.14.13|
Show InChI InChI=1S/C30H29ClN2O3/c1-17(2)16-33-11-10-29-25-19-6-9-23(35-3)27(25)36-28(29)26-20(14-30(29,34)24(33)13-19)12-21(15-32-26)18-4-7-22(31)8-5-18/h4-9,12,15,24,28,34H,1,10-11,13-14,16H2,2-3H3/t24?,28-,29?,30+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.24E+3n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair