BDBM50083167 (S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL343189

SMILES: CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C

InChI Key: InChIKey=PRLDSOUJDJOOFI-ZEQRLZLVSA-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 = 50083167   

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))	BDBM50083167 ((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C27H37N3O3/c1-17-12-21(31)13-18(2)22(17)15-24(29(6)7)26(33)30-16-20-11-9-8-10-19(20)14-23(30)25(32)28-27(3,4)5/h8-13,23-24,31H,14-16H2,1-7H3,(H,28,32)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.110	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50083167 ((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C27H37N3O3/c1-17-12-21(31)13-18(2)22(17)15-24(29(6)7)26(33)30-16-20-11-9-8-10-19(20)14-23(30)25(32)28-27(3,4)5/h8-13,23-24,31H,14-16H2,1-7H3,(H,28,32)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.610	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50083167 ((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C Show InChI InChI=1S/C27H37N3O3/c1-17-12-21(31)13-18(2)22(17)15-24(29(6)7)26(33)30-16-20-11-9-8-10-19(20)14-23(30)25(32)28-27(3,4)5/h8-13,23-24,31H,14-16H2,1-7H3,(H,28,32)/t23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	226	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