BDBM50084990 (S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-6-(4-fluoro-phenyl)-7-methoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid::CHEMBL47564

SMILES: COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C

InChI Key: InChIKey=ORDGQWQMSKILHR-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 = 50084990   

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))	BDBM50084990 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C28H29FN2O5/c1-15-8-21(32)9-16(2)22(15)13-24(30)27(33)31-14-19-12-26(36-3)23(17-4-6-20(29)7-5-17)10-18(19)11-25(31)28(34)35/h4-10,12,24-25,32H,11,13-14,30H2,1-3H3,(H,34,35)/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	1.16E+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 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))	BDBM50084990 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C28H29FN2O5/c1-15-8-21(32)9-16(2)22(15)13-24(30)27(33)31-14-19-12-26(36-3)23(17-4-6-20(29)7-5-17)10-18(19)11-25(31)28(34)35/h4-10,12,24-25,32H,11,13-14,30H2,1-3H3,(H,34,35)/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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50084990 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1cc2CN([C@@H](Cc2cc1-c1ccc(F)cc1)C(O)=O)C(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C28H29FN2O5/c1-15-8-21(32)9-16(2)22(15)13-24(30)27(33)31-14-19-12-26(36-3)23(17-4-6-20(29)7-5-17)10-18(19)11-25(31)28(34)35/h4-10,12,24-25,32H,11,13-14,30H2,1-3H3,(H,34,35)/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	7.22E+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