BDBM50018721 2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methyl]-carbamoyl}-ethyl)-3-(4-hydroxy-phenyl)-propionamide::CHEMBL419414

SMILES: CC(C)CC(C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=PUZQCAIXBLYSBU-ROFXEPAZSA-N

Data: 2 KI  1 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 = 50018721   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50018721 (2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...) Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C20H32N4O4/c1-12(2)9-13(3)23-18(26)11-22-19(27)14(4)24-20(28)17(21)10-15-5-7-16(25)8-6-15/h5-8,12-14,17,25H,9-11,21H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)/t13?,14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50018721 (2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...) Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C20H32N4O4/c1-12(2)9-13(3)23-18(26)11-22-19(27)14(4)24-20(28)17(21)10-15-5-7-16(25)8-6-15/h5-8,12-14,17,25H,9-11,21H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)/t13?,14-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]DSLET binding to delta 1 opioid receptors in rat brain membranes				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50018721 (2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methy...) Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C20H32N4O4/c1-12(2)9-13(3)23-18(26)11-22-19(27)14(4)24-20(28)17(21)10-15-5-7-16(25)8-6-15/h5-8,12-14,17,25H,9-11,21H2,1-4H3,(H,22,27)(H,23,26)(H,24,28)/t13?,14-,17+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi...				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair