BDBM50084991 (S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-7-methoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL297452

SMILES: COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O

InChI Key: InChIKey=GXOHMQXINVOICA-ANYOKISRSA-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 = 50084991   

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))	BDBM50084991 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19?,20-/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	11	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50084991 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19?,20-/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	9.00E+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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50084991 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19?,20-/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	2.28E+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