BDBM50059833 4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N-ethyl-benzamide::CHEMBL430851

SMILES: CCNC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1

InChI Key: InChIKey=ILKRGFKOTHKFFT-OHUGHZGNSA-N

Data: 3 IC50

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 3 hits for monomerid = 50059833   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50059833 (4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCNC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 Show InChI InChI=1S/C26H35N3O2/c1-6-15-28-17-20(4)29(18-19(28)3)25(23-9-8-10-24(16-23)31-5)21-11-13-22(14-12-21)26(30)27-7-2/h6,8-14,16,19-20,25H,1,7,15,17-18H2,2-5H3,(H,27,30)/t19-,20+,25-/m1/s1	PDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	345	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor kappa 1 by the inhibition of binding of [3H]U-69593 in guinea pig brain membranes.				J Med Chem 40: 2936-47 (1997) Article DOI: 10.1021/jm970106d BindingDB Entry DOI: 10.7270/Q2G44QZ3
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50059833 (4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCNC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 Show InChI InChI=1S/C26H35N3O2/c1-6-15-28-17-20(4)29(18-19(28)3)25(23-9-8-10-24(16-23)31-5)21-11-13-22(14-12-21)26(30)27-7-2/h6,8-14,16,19-20,25H,1,7,15,17-18H2,2-5H3,(H,27,30)/t19-,20+,25-/m1/s1	PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor delta 1 as inhibition of [3H]DADAL binding to rat brain membranes				J Med Chem 40: 2936-47 (1997) Article DOI: 10.1021/jm970106d BindingDB Entry DOI: 10.7270/Q2G44QZ3
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50059833 (4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...) Show SMILES CCNC(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 Show InChI InChI=1S/C26H35N3O2/c1-6-15-28-17-20(4)29(18-19(28)3)25(23-9-8-10-24(16-23)31-5)21-11-13-22(14-12-21)26(30)27-7-2/h6,8-14,16,19-20,25H,1,7,15,17-18H2,2-5H3,(H,27,30)/t19-,20+,25-/m1/s1	PDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor mu 1 by the inhibition of binding of [3H]DAMGO in rat brain membranes.				J Med Chem 40: 2936-47 (1997) Article DOI: 10.1021/jm970106d BindingDB Entry DOI: 10.7270/Q2G44QZ3
					More data for this Ligand-Target Pair