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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 = 'BDBM50369820'   
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))
BDBM50369820
PNG
(CHEMBL1169584)
Show SMILES CCO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:8,TLB:15:16:7:20.22.23,3:5:24.13:9.8,23:24:6.5:9.8,21:20:16.17.18:7,THB:16:24:6.5:9.8,6:7:16.17.18:20.22.23,8:7:16.17.18:20.22.23,14:13:6.5:9.8|
Show InChI InChI=1S/C24H31NO4/c1-5-28-14(2)16-13-22-8-9-24(16,27-4)21-23(22)10-11-25(3)18(22)12-15-6-7-17(26)20(29-21)19(15)23/h6-9,14,16,18,21,26H,5,10-13H2,1-4H3/t14-,16-,18?,21-,22?,23?,24+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
14n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 43: 1852-7 (2000)


BindingDB Entry DOI: 10.7270/Q2J67HN1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50369820
PNG
(CHEMBL1169584)
Show SMILES CCO[C@@H](C)[C@@H]1CC23C=C[C@]1(OC)[C@H]1Oc4c5c(CC2N(C)CCC315)ccc4O |r,c:8,TLB:15:16:7:20.22.23,3:5:24.13:9.8,23:24:6.5:9.8,21:20:16.17.18:7,THB:16:24:6.5:9.8,6:7:16.17.18:20.22.23,8:7:16.17.18:20.22.23,14:13:6.5:9.8|
Show InChI InChI=1S/C24H31NO4/c1-5-28-14(2)16-13-22-8-9-24(16,27-4)21-23(22)10-11-25(3)18(22)12-15-6-7-17(26)20(29-21)19(15)23/h6-9,14,16,18,21,26H,5,10-13H2,1-4H3/t14-,16-,18?,21-,22?,23?,24+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 559n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
EC50 for binding of [35S]- GTPdeltaS in cloned human Opioid receptor kappa 1 (U-69,593) transfected onto CHO cells


J Med Chem 43: 1852-7 (2000)


BindingDB Entry DOI: 10.7270/Q2J67HN1
More data for this
Ligand-Target Pair