BindingDB logo
myBDB logout

null

SMILES: Cc1cc(-c2ccccc2)c2C[C@@]3(O)[C@H]4Cc5ccc(O)c6OC(c2n1)[C@]3(CCN4CC1CC1)c56

InChI Key: InChIKey=PGZYSMSBROYGAI-YOLQKYPRSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50080470   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50080470
PNG
(17-(Cyclopropyl-methyl) -6, 7-didehydro-3,14-dihyd...)
Show SMILES Cc1cc(-c2ccccc2)c2C[C@@]3(O)[C@H]4Cc5ccc(O)c6OC(c2n1)[C@]3(CCN4CC1CC1)c56
Show InChI InChI=1S/C30H30N2O3/c1-17-13-21(19-5-3-2-4-6-19)22-15-30(34)24-14-20-9-10-23(33)27-25(20)29(30,28(35-27)26(22)31-17)11-12-32(24)16-18-7-8-18/h2-6,9-10,13,18,24,28,33-34H,7-8,11-12,14-16H2,1H3/t24-,28?,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
125n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 was determined by inhibition of binding of [3H]DADLE (1.3-2.0 nM) to rat brain membranes


J Med Chem 42: 3527-38 (1999)


Article DOI: 10.1021/jm990039i
BindingDB Entry DOI: 10.7270/Q2QR4XSQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50080470
PNG
(17-(Cyclopropyl-methyl) -6, 7-didehydro-3,14-dihyd...)
Show SMILES Cc1cc(-c2ccccc2)c2C[C@@]3(O)[C@H]4Cc5ccc(O)c6OC(c2n1)[C@]3(CCN4CC1CC1)c56
Show InChI InChI=1S/C30H30N2O3/c1-17-13-21(19-5-3-2-4-6-19)22-15-30(34)24-14-20-9-10-23(33)27-25(20)29(30,28(35-27)26(22)31-17)11-12-32(24)16-18-7-8-18/h2-6,9-10,13,18,24,28,33-34H,7-8,11-12,14-16H2,1H3/t24-,28?,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
154n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 was determined by inhibition of binding of [3H]DAMGO (1.4-3 nM) to rat brain membranes


J Med Chem 42: 3527-38 (1999)


Article DOI: 10.1021/jm990039i
BindingDB Entry DOI: 10.7270/Q2QR4XSQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50080470
PNG
(17-(Cyclopropyl-methyl) -6, 7-didehydro-3,14-dihyd...)
Show SMILES Cc1cc(-c2ccccc2)c2C[C@@]3(O)[C@H]4Cc5ccc(O)c6OC(c2n1)[C@]3(CCN4CC1CC1)c56
Show InChI InChI=1S/C30H30N2O3/c1-17-13-21(19-5-3-2-4-6-19)22-15-30(34)24-14-20-9-10-23(33)27-25(20)29(30,28(35-27)26(22)31-17)11-12-32(24)16-18-7-8-18/h2-6,9-10,13,18,24,28,33-34H,7-8,11-12,14-16H2,1H3/t24-,28?,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
677n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor kappa 1 was determined by inhibition of binding of [3H]U-69593 (1.2-2.2 nM) to guinea pig brain membranes


J Med Chem 42: 3527-38 (1999)


Article DOI: 10.1021/jm990039i
BindingDB Entry DOI: 10.7270/Q2QR4XSQ
More data for this
Ligand-Target Pair