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SMILES: C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41

InChI Key: InChIKey=KOODECODLWKEAK-BERSIMOUSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50123991   
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))
BDBM50123991
PNG
(17-cyclopropylmethyl-1,20-dimethyl-(1S,20R)-5,17-d...)
Show SMILES C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C24H28N2/c1-15-23-12-17-11-19-18-5-3-4-6-21(18)25-22(19)13-20(17)24(15,2)9-10-26(23)14-16-7-8-16/h3-6,11,13,15-16,23,25H,7-10,12,14H2,1-2H3/t15-,23?,24-/m0/s1
PDB

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PC sid
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Article
PubMed
9.60n/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)
BDBM50123991
PNG
(17-cyclopropylmethyl-1,20-dimethyl-(1S,20R)-5,17-d...)
Show SMILES C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C24H28N2/c1-15-23-12-17-11-19-18-5-3-4-6-21(18)25-22(19)13-20(17)24(15,2)9-10-26(23)14-16-7-8-16/h3-6,11,13,15-16,23,25H,7-10,12,14H2,1-2H3/t15-,23?,24-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
22n/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))
BDBM50123991
PNG
(17-cyclopropylmethyl-1,20-dimethyl-(1S,20R)-5,17-d...)
Show SMILES C[C@H]1C2Cc3cc4c(cc3[C@@]1(C)CCN2CC1CC1)[nH]c1ccccc41 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C24H28N2/c1-15-23-12-17-11-19-18-5-3-4-6-21(18)25-22(19)13-20(17)24(15,2)9-10-26(23)14-16-7-8-16/h3-6,11,13,15-16,23,25H,7-10,12,14H2,1-2H3/t15-,23?,24-/m0/s1
PDB

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PC sid
UniChem

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Article
PubMed
170n/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