BDBM50018709 2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylcarbamoyl)-methyl]-carbamoyl}-ethyl)-3-(4-hydroxy-phenyl)-propionamide::CHEMBL2370600

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

InChI Key: InChIKey=PDXVJTHNKZZZIA-KHMGXFTDSA-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 = 50018709   

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))	BDBM50018709 (2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylca...) Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	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))	BDBM50018709 (2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylca...) Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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)	BDBM50018709 (2-Amino-N-(2-tert-butoxy-1-{[(1,3-dimethyl-butylca...) Show SMILES CC(C)CC(C)NC(=O)CNC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C24H40N4O5/c1-15(2)11-16(3)27-21(30)13-26-23(32)20(14-33-24(4,5)6)28-22(31)19(25)12-17-7-9-18(29)10-8-17/h7-10,15-16,19-20,29H,11-14,25H2,1-6H3,(H,26,32)(H,27,30)(H,28,31)/t16?,19-,20+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	111	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