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BDBM50269298 CHEMBL4077552

SMILES: [H][C@@]12Oc3c4c(ccc3O)[C@H](O)[C@@]3([H])N(CC5CC5)CC[C@@]14[C@@]3(O)CC[C@H]2N(C)C(=O)\C=C\c1ccccn1

InChI Key: InChIKey=ZJASEBSULXBDDN-YSLOLIGCSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50269298   
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))
BDBM50269298
PNG
(CHEMBL4077552)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3[C@@H](O)c4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C29H33N3O5/c1-31(22(34)10-7-18-4-2-3-14-30-18)20-11-12-29(36)26-24(35)19-8-9-21(33)25-23(19)28(29,27(20)37-25)13-15-32(26)16-17-5-6-17/h2-4,7-10,14,17,20,24,26-27,33,35-36H,5-6,11-13,15-16H2,1H3/b10-7+/t20-,24+,26-,27+,28+,29-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 0.0283n/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET as...


Bioorg Med Chem Lett 27: 3920-3924 (2017)


BindingDB Entry DOI: 10.7270/Q2ZW1PD9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50269298
PNG
(CHEMBL4077552)
Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3[C@@H](O)c4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccccn1
Show InChI InChI=1S/C29H33N3O5/c1-31(22(34)10-7-18-4-2-3-14-30-18)20-11-12-29(36)26-24(35)19-8-9-21(33)25-23(19)28(29,27(20)37-25)13-15-32(26)16-17-5-6-17/h2-4,7-10,14,17,20,24,26-27,33,35-36H,5-6,11-13,15-16H2,1H3/b10-7+/t20-,24+,26-,27+,28+,29-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 2.88E+3n/an/an/an/a



Toray Industries Inc

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO-dhfr(-) cells assessed as inhibition of forskolin-induced cAMP accumulation by TR-FRET ...


Bioorg Med Chem Lett 27: 3920-3924 (2017)


BindingDB Entry DOI: 10.7270/Q2ZW1PD9
More data for this
Ligand-Target Pair