BDBM50083154 (S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ((S)-1-methylcarbamoyl-ethyl)-amide::CHEMBL344984

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

InChI Key: InChIKey=RJRJGVKPIDBULD-SSKFGXFMSA-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 = 50083154   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50083154 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C25H32N4O4/c1-14-9-19(30)10-15(2)20(14)12-21(26)25(33)29-13-18-8-6-5-7-17(18)11-22(29)24(32)28-16(3)23(31)27-4/h5-10,16,21-22,30H,11-13,26H2,1-4H3,(H,27,31)(H,28,32)/t16-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.				J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50083154 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C25H32N4O4/c1-14-9-19(30)10-15(2)20(14)12-21(26)25(33)29-13-18-8-6-5-7-17(18)11-22(29)24(32)28-16(3)23(31)27-4/h5-10,16,21-22,30H,11-13,26H2,1-4H3,(H,27,31)(H,28,32)/t16-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.				J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50083154 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...) Show SMILES CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C25H32N4O4/c1-14-9-19(30)10-15(2)20(14)12-21(26)25(33)29-13-18-8-6-5-7-17(18)11-22(29)24(32)28-16(3)23(31)27-4/h5-10,16,21-22,30H,11-13,26H2,1-4H3,(H,27,31)(H,28,32)/t16-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor mu 1 from rat brain synaptosomal preparations by [3H]-DAGO displacement.				J Med Chem 42: 5010-9 (2000) BindingDB Entry DOI: 10.7270/Q2VX0FQG
					More data for this Ligand-Target Pair