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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 = 'BDBM50286103'   
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))
BDBM50286103
PNG
(CHEMBL102092 | Morphinan Cyclic Imine analogue)
Show SMILES COC12C=CC34C[C@@]1(C)C(=N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,10,TLB:24:25:5:15.13.14,26:9:2:12.5.6,16:15:5:25.19.18,THB:4:5:25.19.18:15.13.14|
Show InChI InChI=1S/C28H30N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22,24,31H,13-15,17H2,1-3H3/t22?,24-,25-,26?,27?,28?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]-U-69,593 from Opioid receptor kappa 1 in hartley guinea pig brain membrane in the presence of 10...


Bioorg Med Chem Lett 5: 2969-2974 (1995)


Article DOI: 10.1016/0960-894X(95)00522-1
BindingDB Entry DOI: 10.7270/Q24F1QQT
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50286103
PNG
(CHEMBL102092 | Morphinan Cyclic Imine analogue)
Show SMILES COC12C=CC34C[C@@]1(C)C(=N[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,10,TLB:24:25:5:15.13.14,26:9:2:12.5.6,16:15:5:25.19.18,THB:4:5:25.19.18:15.13.14|
Show InChI InChI=1S/C28H30N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22,24,31H,13-15,17H2,1-3H3/t22?,24-,25-,26?,27?,28?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 6.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace bremazocine from Opioid receptor kappa 2 in hartley guinea pig brain membrane


Bioorg Med Chem Lett 5: 2969-2974 (1995)


Article DOI: 10.1016/0960-894X(95)00522-1
BindingDB Entry DOI: 10.7270/Q24F1QQT
More data for this
Ligand-Target Pair