BDBM50084995 (S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-7-hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL44732

SMILES: Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O

InChI Key: InChIKey=OANJLBHWZOEOBW-GGYWPGCISA-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 = 50084995   

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))	BDBM50084995 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O Show InChI InChI=1S/C21H24N2O5/c1-11-5-16(25)6-12(2)17(11)9-18(22)20(26)23-10-14-7-15(24)4-3-13(14)8-19(23)21(27)28/h3-7,18-19,24-25H,8-10,22H2,1-2H3,(H,27,28)/t18?,19-/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	236	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))	BDBM50084995 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O Show InChI InChI=1S/C21H24N2O5/c1-11-5-16(25)6-12(2)17(11)9-18(22)20(26)23-10-14-7-15(24)4-3-13(14)8-19(23)21(27)28/h3-7,18-19,24-25H,8-10,22H2,1-2H3,(H,27,28)/t18?,19-/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	2.16E+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 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))	BDBM50084995 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1Cc2cc(O)ccc2C[C@H]1C(O)=O Show InChI InChI=1S/C21H24N2O5/c1-11-5-16(25)6-12(2)17(11)9-18(22)20(26)23-10-14-7-15(24)4-3-13(14)8-19(23)21(27)28/h3-7,18-19,24-25H,8-10,22H2,1-2H3,(H,27,28)/t18?,19-/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	9.29E+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 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