BDBM50108916 2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-(4-hydroxy-2,6-dimethyl-phenyl)-propan-1-one

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1c1nc2ccccc2[nH]1

InChI Key: InChIKey=CMBIVIIMBVYXLE-XADRRFQNSA-N

Data: 2 KI

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 2 hits for monomerid = 50108916   

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))	BDBM50108916 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C27H28N4O2/c1-16-11-20(32)12-17(2)21(16)14-22(28)27(33)31-15-19-8-4-3-7-18(19)13-25(31)26-29-23-9-5-6-10-24(23)30-26/h3-12,22,25,32H,13-15,28H2,1-2H3,(H,29,30)/t22-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Binding affinity at Opioid receptor delta 1 using rat brain receptor (P2 synaptosome) assay				J Med Chem 45: 713-20 (2002) BindingDB Entry DOI: 10.7270/Q2639QFF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50108916 (2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1c1nc2ccccc2[nH]1 Show InChI InChI=1S/C27H28N4O2/c1-16-11-20(32)12-17(2)21(16)14-22(28)27(33)31-15-19-8-4-3-7-18(19)13-25(31)26-29-23-9-5-6-10-24(23)30-26/h3-12,22,25,32H,13-15,28H2,1-2H3,(H,29,30)/t22-,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliary Curated by ChEMBL					Assay Description Binding affinity for rat brain P2 synaptosome Opioid receptor mu 1				J Med Chem 45: 713-20 (2002) BindingDB Entry DOI: 10.7270/Q2639QFF
					More data for this Ligand-Target Pair