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BDBM50124005 CHEMBL440196::N-(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-yl)-N',N'-dimethyl-benzene-1,4-diamine

SMILES: C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1

InChI Key: InChIKey=MUBKMIVBISNFDP-XLXODUMSSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50124005   
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


(Cavia porcellus (domestic guinea pig))
BDBM50124005
PNG
(CHEMBL440196 | N-(3-Cyclopropylmethyl-6,11-dimethy...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C26H35N3/c1-18-25-15-20-7-8-22(27-21-9-11-23(12-10-21)28(3)4)16-24(20)26(18,2)13-14-29(25)17-19-5-6-19/h7-12,16,18-19,25,27H,5-6,13-15,17H2,1-4H3/t18-,25?,26-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.80n/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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50124005
PNG
(CHEMBL440196 | N-(3-Cyclopropylmethyl-6,11-dimethy...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C26H35N3/c1-18-25-15-20-7-8-22(27-21-9-11-23(12-10-21)28(3)4)16-24(20)26(18,2)13-14-29(25)17-19-5-6-19/h7-12,16,18-19,25,27H,5-6,13-15,17H2,1-4H3/t18-,25?,26-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50124005
PNG
(CHEMBL440196 | N-(3-Cyclopropylmethyl-6,11-dimethy...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(cc4)N(C)C)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C26H35N3/c1-18-25-15-20-7-8-22(27-21-9-11-23(12-10-21)28(3)4)16-24(20)26(18,2)13-14-29(25)17-19-5-6-19/h7-12,16,18-19,25,27H,5-6,13-15,17H2,1-4H3/t18-,25?,26-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole 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