BDBM50021201 14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2-benzyl-3,8,15-trioxo-1,4,9triaza-cyclopentadecane-5-carboxylic acid amide::CHEMBL2372819

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O

InChI Key: InChIKey=GKEIXNSUCAQJGV-ZJZGAYNASA-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 = 50021201   

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))	BDBM50021201 (14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C29H38N6O6/c30-21(16-19-9-11-20(36)12-10-19)27(39)34-23-13-14-25(37)32-15-5-4-8-22(26(31)38)33-29(41)24(35-28(23)40)17-18-6-2-1-3-7-18/h1-3,6-7,9-12,21-24,36H,4-5,8,13-17,30H2,(H2,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,40)/t21-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.994	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for its ability to displace [3H]DAGO binding to Opioid receptor mu 1 from rat brain homogenate				J Med Chem 28: 1766-71 (1986) BindingDB Entry DOI: 10.7270/Q2K9383S
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50021201 (14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C29H38N6O6/c30-21(16-19-9-11-20(36)12-10-19)27(39)34-23-13-14-25(37)32-15-5-4-8-22(26(31)38)33-29(41)24(35-28(23)40)17-18-6-2-1-3-7-18/h1-3,6-7,9-12,21-24,36H,4-5,8,13-17,30H2,(H2,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,40)/t21-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from Opioid receptor delta 1 from rat brain homogenate				J Med Chem 28: 1766-71 (1986) BindingDB Entry DOI: 10.7270/Q2K9383S
					More data for this Ligand-Target Pair