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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 = 'BDBM50123994'   
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))
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
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AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50123994
PNG
(8-Amino-3-cyclopropylmethyl-6-ethyl-11-methyl-3,4,...)
Show SMILES CC[C@]12CCN(CC3CC3)C([C@@H]1C)C(=O)c1ccc(N)cc21 |TLB:6:5:13.21.15:11,14:13:11:5.3.4,THB:20:21:11:5.3.4|
Show InChI InChI=1S/C19H26N2O/c1-3-19-8-9-21(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(20)10-16(15)19/h6-7,10,12-13,17H,3-5,8-9,11,20H2,1-2H3/t12-,17?,19-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 4.40n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair