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BDBM50123996 (4-Chloro-phenyl)-(3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-yl)-amine::CHEMBL169030

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

InChI Key: InChIKey=TZQRWOINOMYXDT-VHWFRIBGSA-N

Data: 3 KI

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 = 50123996   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123996
PNG
((4-Chloro-phenyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C24H29ClN2/c1-16-23-13-18-5-8-21(26-20-9-6-19(25)7-10-20)14-22(18)24(16,2)11-12-27(23)15-17-3-4-17/h5-10,14,16-17,23,26H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
2.5n/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)
BDBM50123996
PNG
((4-Chloro-phenyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C24H29ClN2/c1-16-23-13-18-5-8-21(26-20-9-6-19(25)7-10-20)14-22(18)24(16,2)11-12-27(23)15-17-3-4-17/h5-10,14,16-17,23,26H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/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))
BDBM50123996
PNG
((4-Chloro-phenyl)-(3-cyclopropylmethyl-6,11-dimeth...)
Show SMILES C[C@H]1C2Cc3ccc(Nc4ccc(Cl)cc4)cc3[C@@]1(C)CCN2CC1CC1
Show InChI InChI=1S/C24H29ClN2/c1-16-23-13-18-5-8-21(26-20-9-6-19(25)7-10-20)14-22(18)24(16,2)11-12-27(23)15-17-3-4-17/h5-10,14,16-17,23,26H,3-4,11-13,15H2,1-2H3/t16-,23?,24-/m0/s1
PDB

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Article
PubMed
26n/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