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BDBM50060083 2-({2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl}-amino)-propionic acid::CHEMBL3038229

SMILES: C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O

InChI Key: InChIKey=TUXLEAJGNKFQRS-RVHYNSKXSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50060083   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50060083
PNG
(2-({2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C24H29N3O5/c1-13-8-18(28)9-14(2)19(13)11-20(25)23(30)27-12-17-7-5-4-6-16(17)10-21(27)22(29)26-15(3)24(31)32/h4-9,15,20-21,28H,10-12,25H2,1-3H3,(H,26,29)(H,31,32)/t15-,20+,21-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0755n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 by displacement of [3H]- DPDPE


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50060083
PNG
(2-({2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C24H29N3O5/c1-13-8-18(28)9-14(2)19(13)11-20(25)23(30)27-12-17-7-5-4-6-16(17)10-21(27)22(29)26-15(3)24(31)32/h4-9,15,20-21,28H,10-12,25H2,1-3H3,(H,26,29)(H,31,32)/t15-,20+,21-/m0/s1
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PC sid
UniChem

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Article
PubMed
1.52E+3n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 by displacement of [3H]- DAGO


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50060083
PNG
(2-({2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C24H29N3O5/c1-13-8-18(28)9-14(2)19(13)11-20(25)23(30)27-12-17-7-5-4-6-16(17)10-21(27)22(29)26-15(3)24(31)32/h4-9,15,20-21,28H,10-12,25H2,1-3H3,(H,26,29)(H,31,32)/t15-,20+,21-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in an in vitro guinea pig ileum assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair