BDBM50101628 2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-2,6-dimethyl-phenyl)-propan-1-one::CHEMBL77001

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1

InChI Key: InChIKey=ZXCCLWMAQYTFDD-IGKIAQTJSA-N

Data: 3 IC50  3 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 6 hits for monomerid = 50101628   

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))	BDBM50101628 (2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1 Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/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	0.920	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50101628 (2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1 Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/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	0.410	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101628 (2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1 Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/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	0.650	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50101628 (2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1 Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/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	n/a	n/a	37	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50101628 (2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1 Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/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	1.5	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50101628 (2-Amino-1-[3-(benzylamino-methyl)-3,4-dihydro-1H-i...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNCc1ccccc1 Show InChI InChI=1S/C28H33N3O2/c1-19-12-25(32)13-20(2)26(19)15-27(29)28(33)31-18-23-11-7-6-10-22(23)14-24(31)17-30-16-21-8-4-3-5-9-21/h3-13,24,27,30,32H,14-18,29H2,1-2H3/t24-,27-/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	6.80	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