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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 = 'BDBM50286105'   
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))
BDBM50286105
PNG
(CHEMBL318636 | Morphinan Cyclic Imine analogue)
Show SMILES CO[C@]12C=C[C@]34C[C@@]1(C)[C@@H](N(C)[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,TLB:25:26:5:16.14.15,8:7:13.12:3.4,9:7:13.12:3.4,11:10:2:13.5.6,17:16:5:26.20.19,THB:4:5:26.20.19:16.14.15|
Show InChI InChI=1S/C29H34N2O2/c1-26-18-27-12-13-29(26,33-4)25(31(3)24(26)19-8-6-5-7-9-19)28(27)14-15-30(2)23(27)16-20-10-11-21(32)17-22(20)28/h5-13,17,23-25,32H,14-16,18H2,1-4H3/t23?,24-,25-,26-,27+,28?,29-/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))
BDBM50286105
PNG
(CHEMBL318636 | Morphinan Cyclic Imine analogue)
Show SMILES CO[C@]12C=C[C@]34C[C@@]1(C)[C@@H](N(C)[C@H]2C31CCN(C)C4Cc2ccc(O)cc12)c1ccccc1 |c:3,TLB:25:26:5:16.14.15,8:7:13.12:3.4,9:7:13.12:3.4,11:10:2:13.5.6,17:16:5:26.20.19,THB:4:5:26.20.19:16.14.15|
Show InChI InChI=1S/C29H34N2O2/c1-26-18-27-12-13-29(26,33-4)25(31(3)24(26)19-8-6-5-7-9-19)28(27)14-15-30(2)23(27)16-20-10-11-21(32)17-22(20)28/h5-13,17,23-25,32H,14-16,18H2,1-4H3/t23?,24-,25-,26-,27+,28?,29-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9.20n/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