BDBM50166345 6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-ethyl}-amide::CHEMBL195517

SMILES: C[C@@H](NC(=O)C1Cc2cc(O)ccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=MHUNDOBVFIZRFE-ZHFGZPRMSA-N

Data: 2 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 2 hits for monomerid = 50166345   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50166345 (6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...) Show SMILES C[C@@H](NC(=O)C1Cc2cc(O)ccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C31H35N5O5/c1-19(34-30(40)26-17-23-16-24(37)13-12-22(23)18-33-26)29(39)36-27(15-21-10-6-3-7-11-21)31(41)35-25(28(32)38)14-20-8-4-2-5-9-20/h2-13,16,19,25-27,33,37H,14-15,17-18H2,1H3,(H2,32,38)(H,34,40)(H,35,41)(H,36,39)/t19-,25+,26?,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]-naloxone binding to rat brain homogenate Opioid receptor mu				Bioorg Med Chem Lett 15: 2467-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.075 BindingDB Entry DOI: 10.7270/Q2057FF6
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50166345 (6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...) Show SMILES C[C@@H](NC(=O)C1Cc2cc(O)ccc2CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C31H35N5O5/c1-19(34-30(40)26-17-23-16-24(37)13-12-22(23)18-33-26)29(39)36-27(15-21-10-6-3-7-11-21)31(41)35-25(28(32)38)14-20-8-4-2-5-9-20/h2-13,16,19,25-27,33,37H,14-15,17-18H2,1H3,(H2,32,38)(H,34,40)(H,35,41)(H,36,39)/t19-,25+,26?,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of [3H]-naloxone binding to rat brain homogenate Opioid receptor delta				Bioorg Med Chem Lett 15: 2467-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.075 BindingDB Entry DOI: 10.7270/Q2057FF6
					More data for this Ligand-Target Pair