BDBM50154034 2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-propyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-propan-1-one::CHEMBL440380

SMILES: CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=SWRXASXLGINNHP-GMAHTHKFSA-N

Data: 4 KI  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 5 hits for monomerid = 50154034   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50154034 (2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...) Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptor of rat brain				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50154034 (2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...) Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for Mu opioid receptor of rat brain				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50154034 (2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...) Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for Mu opioid receptor of rat brain				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50154034 (2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...) Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Binding affinity for delta opioid receptor of rat brain				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50154034 (2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...) Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of delta opioid receptor mediated GTPgammaS binding to CHO cell membranes				J Med Chem 47: 5009-20 (2004) Article DOI: 10.1021/jm030548r BindingDB Entry DOI: 10.7270/Q2H131GF
					More data for this Ligand-Target Pair