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BDBM222965 US9315514, 8

SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]12CC[C@@]35C[C@@H]1[C@](C)(OCO2)C(C)(C)C

InChI Key: InChIKey=WFFVPEDSMPEKNY-VQWWACLZSA-N

Data: 1 KI  2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 222965   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM222965
PNG
(US9315514, 8)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]12CC[C@@]35C[C@@H]1[C@](C)(OCO2)C(C)(C)C
Show InChI InChI=1S/C30H41NO4/c1-26(2,3)27(4)21-15-28-10-11-30(21,34-17-33-27)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32-5)24(35-25)23(19)29/h8-9,18,21-22,25H,6-7,10-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.22n/an/an/an/an/an/an/an/a



Rhodes Technologies

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recombin...


US Patent US9315514 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5DWC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM222965
PNG
(US9315514, 8)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]12CC[C@@]35C[C@@H]1[C@](C)(OCO2)C(C)(C)C
Show InChI InChI=1S/C30H41NO4/c1-26(2,3)27(4)21-15-28-10-11-30(21,34-17-33-27)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32-5)24(35-25)23(19)29/h8-9,18,21-22,25H,6-7,10-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 855n/an/an/an/a



Rhodes Technologies

US Patent


Assay Description
Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding f...


US Patent US9315514 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5DWC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM222965
PNG
(US9315514, 8)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]12CC[C@@]35C[C@@H]1[C@](C)(OCO2)C(C)(C)C
Show InChI InChI=1S/C30H41NO4/c1-26(2,3)27(4)21-15-28-10-11-30(21,34-17-33-27)25-29(28)12-13-31(16-18-6-7-18)22(28)14-19-8-9-20(32-5)24(35-25)23(19)29/h8-9,18,21-22,25H,6-7,10-17H2,1-5H3/t21-,22-,25-,27+,28-,29+,30-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 85.4n/an/an/an/a



Rhodes Technologies

US Patent


Assay Description
[35S]GTPγS functional assays were conducted using freshly thawed μ-receptor membranes prepared in-house from a cell line expressing recombin...


US Patent US9315514 (2016)


BindingDB Entry DOI: 10.7270/Q2KW5DWC
More data for this
Ligand-Target Pair