BDBM50290892 (S)-2-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid; hydrochloride::CHEMBL557027

SMILES: C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C

InChI Key: InChIKey=FCXFTRJOTXZTEP-DCPHZVHLSA-N

Data: 2 IC50

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 2 hits for monomerid = 50290892   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Delta-type opioid receptor (MOUSE)	BDBM50290892 ((S)-2-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards delta-opioid receptor by displacement of [3H]-p-CI-DPDPE radioligand from mouse vas defer...				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50290892 ((S)-2-[(2S,3S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18-,20-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]-DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
					More data for this Ligand-Target Pair