BDBM50059366 ((S)-2-{(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-2-methyl-propionylamino]-3-methyl-butyrylamino}-3-methyl-butyrylamino)-acetic acid::CHEMBL86765

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

InChI Key: InChIKey=JIFGFHCNSVBRAC-OBWLXNIXSA-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 = 50059366   

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))	BDBM50059366 (((S)-2-{(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O Show InChI InChI=1S/C37H53N7O9/c1-20(2)29(34(51)39-19-28(46)47)42-35(52)30(21(3)4)43-36(53)37(6,7)44-33(50)27(18-23-11-9-8-10-12-23)41-31(48)22(5)40-32(49)26(38)17-24-13-15-25(45)16-14-24/h8-16,20-22,26-27,29-30,45H,17-19,38H2,1-7H3,(H,39,51)(H,40,49)(H,41,48)(H,42,52)(H,43,53)(H,44,50)(H,46,47)/t22-,26+,27+,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1				J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50059366 (((S)-2-{(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(O)=O Show InChI InChI=1S/C37H53N7O9/c1-20(2)29(34(51)39-19-28(46)47)42-35(52)30(21(3)4)43-36(53)37(6,7)44-33(50)27(18-23-11-9-8-10-12-23)41-31(48)22(5)40-32(49)26(38)17-24-13-15-25(45)16-14-24/h8-16,20-22,26-27,29-30,45H,17-19,38H2,1-7H3,(H,39,51)(H,40,49)(H,41,48)(H,42,52)(H,43,53)(H,44,50)(H,46,47)/t22-,26+,27+,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Environmental Health Sciences Curated by ChEMBL					Assay Description Affinity of the compound was assessed using competitive binding assay labeled with [3H]- DAGO (1.28 nM) for Opioid receptor mu 1				J Med Chem 40: 2579-87 (1997) Article DOI: 10.1021/jm9700530 BindingDB Entry DOI: 10.7270/Q25M64T2
					More data for this Ligand-Target Pair