BDBM50019055 2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-butyrylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-hydroxy-butyric acid::CHEMBL55734

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI Key: InChIKey=WJEFCEUSQYDJIF-ZIAYIUNKSA-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 = 50019055   

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))	BDBM50019055 (2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C34H48N6O10/c1-18(2)14-25(32(47)40-29(20(4)42)34(49)50)38-31(46)26(16-21-8-6-5-7-9-21)37-27(44)17-36-33(48)28(19(3)41)39-30(45)24(35)15-22-10-12-23(43)13-11-22/h5-13,18-20,24-26,28-29,41-43H,14-17,35H2,1-4H3,(H,36,48)(H,37,44)(H,38,46)(H,39,45)(H,40,47)(H,49,50)/t19-,20-,24+,25+,26+,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UA 498 CNRS Curated by ChEMBL					Assay Description Inhibition of [3H]-DTLET binding torat brain membrane Opioid receptor delta 1				J Med Chem 31: 1891-7 (1988) BindingDB Entry DOI: 10.7270/Q2GB231V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50019055 (2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O Show InChI InChI=1S/C34H48N6O10/c1-18(2)14-25(32(47)40-29(20(4)42)34(49)50)38-31(46)26(16-21-8-6-5-7-9-21)37-27(44)17-36-33(48)28(19(3)41)39-30(45)24(35)15-22-10-12-23(43)13-11-22/h5-13,18-20,24-26,28-29,41-43H,14-17,35H2,1-4H3,(H,36,48)(H,37,44)(H,38,46)(H,39,45)(H,40,47)(H,49,50)/t19-,20-,24+,25+,26+,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UA 498 CNRS Curated by ChEMBL					Assay Description Inhibition of [3H]-DAGO binding to rat brain membrane Opioid receptor mu 1				J Med Chem 31: 1891-7 (1988) BindingDB Entry DOI: 10.7270/Q2GB231V
					More data for this Ligand-Target Pair