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CHEMBL214040 M3A6S

SMILES: C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O |c:16,TLB:0:1:9.8.10:12|

InChI Key: InChIKey=AVTOGXGTGWUJBM-SSTWWWIQSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match
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Other Databases links: PubChem cid PubChem sid ZINC 0

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50189252    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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
Mu opioid receptor


(Cavia porcellus)
CHEMBL214040
PNG
(M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
0.8n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DAMGO from mu opioid receptor in Hartley guinea pig brain


Citation and Details
More data for this
Ligand-Target Pair
Nociceptin Receptor (ORL1 Receptor)


(Homo sapiens)
CHEMBL214040
PNG
(M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O
PDB

Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
5.5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain


Citation and Details
More data for this
Ligand-Target Pair
Delta Opioid Receptor


(Homo sapiens)
CHEMBL214040
PNG
(M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O
PDB

Reactome pathway

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
154.0n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled DPDPE-Cl from delta opioid receptor in Hartley guinea pig brain


Citation and Details
More data for this
Ligand-Target Pair
Kappa Opioid Receptor


(Cavia porcellus)
CHEMBL214040
PNG
(M3A6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OS([O-])(=O)=O)ccc5OC(C)=O
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
1165.0n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain


Citation and Details
More data for this
Ligand-Target Pair