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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 = 'BDBM50098674'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50098674
PNG
((E)-17-(2-butenyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H26N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h2-9,20,24,27,29-30H,10-14H2,1H3/b3-2+/t20?,24-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
118n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity of compound on U50,488H stimulated [35S]GTP-gamma-S binding to opioid receptor kappa 1


J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50098674
PNG
((E)-17-(2-butenyl)-6,7-dehydro-4,5alpha-epoxy-3,14...)
Show SMILES C\C=C\CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |TLB:27:12:15:4.6.5,10:11:15:4.6.5|
Show InChI InChI=1S/C26H26N2O3/c1-2-3-11-28-12-10-25-21-15-8-9-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-15)16-6-4-5-7-18(16)27-22/h2-9,20,24,27,29-30H,10-14H2,1H3/b3-2+/t20?,24-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
960n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 at opioid receptor kappa 1


J Med Chem 44: 1471-4 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0GVP
More data for this
Ligand-Target Pair