BDBM50154040 2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-phenyl)-propan-1-one::CHEMBL362514

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1

InChI Key: InChIKey=UUNVLVIBWMJAMY-REWPJTCUSA-N

Data: 4 KI  2 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 = 50154040   

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))	BDBM50154040 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50154040 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	50	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))	BDBM50154040 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,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))	BDBM50154040 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50154040 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,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	37	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50154040 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of mu 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