BDBM50019049 2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-3-hydroxy-propionylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-3-tert-butoxy-butyric acid::CHEMBL299029

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

InChI Key: InChIKey=ZBOYMJCDHOSRHS-GUVNKXFDSA-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 = 50019049   

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))	BDBM50019049 (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](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O Show InChI InChI=1S/C37H54N6O10/c1-21(2)16-27(35(50)43-31(36(51)52)22(3)53-37(4,5)6)41-34(49)28(18-23-10-8-7-9-11-23)40-30(46)19-39-33(48)29(20-44)42-32(47)26(38)17-24-12-14-25(45)15-13-24/h7-15,21-22,26-29,31,44-45H,16-20,38H2,1-6H3,(H,39,48)(H,40,46)(H,41,49)(H,42,47)(H,43,50)(H,51,52)/t22-,26+,27+,28+,29-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.40	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))	BDBM50019049 (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](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O Show InChI InChI=1S/C37H54N6O10/c1-21(2)16-27(35(50)43-31(36(51)52)22(3)53-37(4,5)6)41-34(49)28(18-23-10-8-7-9-11-23)40-30(46)19-39-33(48)29(20-44)42-32(47)26(38)17-24-12-14-25(45)15-13-24/h7-15,21-22,26-29,31,44-45H,16-20,38H2,1-6H3,(H,39,48)(H,40,46)(H,41,49)(H,42,47)(H,43,50)(H,51,52)/t22-,26+,27+,28+,29-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	185	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