BDBM50084994 (S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-7-methoxy-6-phenyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL430777

SMILES: COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=JQQJVDLTTALLLS-BBMPLOMVSA-N

Data: 3 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 3 hits for monomerid = 50084994   

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 (Homo sapiens (Human))	BDBM50084994 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C28H30N2O5/c1-16-9-21(31)10-17(2)22(16)14-24(29)27(32)30-15-20-13-26(35-3)23(18-7-5-4-6-8-18)11-19(20)12-25(30)28(33)34/h4-11,13,24-25,31H,12,14-15,29H2,1-3H3,(H,33,34)/t24?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50084994 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C28H30N2O5/c1-16-9-21(31)10-17(2)22(16)14-24(29)27(32)30-15-20-13-26(35-3)23(18-7-5-4-6-8-18)11-19(20)12-25(30)28(33)34/h4-11,13,24-25,31H,12,14-15,29H2,1-3H3,(H,33,34)/t24?,25-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50084994 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccccc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C28H30N2O5/c1-16-9-21(31)10-17(2)22(16)14-24(29)27(32)30-15-20-13-26(35-3)23(18-7-5-4-6-8-18)11-19(20)12-25(30)28(33)34/h4-11,13,24-25,31H,12,14-15,29H2,1-3H3,(H,33,34)/t24?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair