BDBM50123657 3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-benzyl-N-methyl-benzamide::CHEMBL422877

SMILES: C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)Cc2ccccc2)[C@@H](C)CN1CC=C

InChI Key: InChIKey=APSQTBDUIGGKRT-FSGGQHMVSA-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 = 50123657   

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))	BDBM50123657 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)Cc2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C31H37N3O2/c1-5-17-33-20-24(3)34(21-23(33)2)30(27-14-10-16-29(35)19-27)26-13-9-15-28(18-26)31(36)32(4)22-25-11-7-6-8-12-25/h5-16,18-19,23-24,30,35H,1,17,20-22H2,2-4H3/t23-,24+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50123657 (3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)Cc2ccccc2)[C@@H](C)CN1CC=C Show InChI InChI=1S/C31H37N3O2/c1-5-17-33-20-24(3)34(21-23(33)2)30(27-14-10-16-29(35)19-27)26-13-9-15-28(18-26)31(36)32(4)22-25-11-7-6-8-12-25/h5-16,18-19,23-24,30,35H,1,17,20-22H2,2-4H3/t23-,24+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain				J Med Chem 46: 623-33 (2003) Article DOI: 10.1021/jm020395s BindingDB Entry DOI: 10.7270/Q2DZ0915
					More data for this Ligand-Target Pair