BDBM50101609 1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-3-phenyl-thiourea::CHEMBL75802

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1

InChI Key: InChIKey=DDDVGFDKIJEQJS-OZXSUGGESA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50101609   

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))	BDBM50101609 (1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1 Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity at cloned human delta-opioid receptor				J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50101609 (1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1 Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/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	51	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency using GTP-gamma [35S]- binding assay for opioid receptor kappa 1				J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101609 (1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1 Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor				J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50101609 (1-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-pr...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=S)Nc1ccccc1 Show InChI InChI=1S/C28H32N4O2S/c1-18-12-24(33)13-19(2)25(18)15-26(29)27(34)32-17-21-9-7-6-8-20(21)14-23(32)16-30-28(35)31-22-10-4-3-5-11-22/h3-13,23,26,33H,14-17,29H2,1-2H3,(H2,30,31,35)/t23-,26-/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	n/a	n/a	1.70	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency using GTP-gamma [35S]- binding assay for delta-opioid receptor				J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW
					More data for this Ligand-Target Pair