BDBM50009676 4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-ethyl}-butyramide::CHEMBL412591

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

InChI Key: InChIKey=OXTLPCYBROBSBS-GOTSBHOMSA-N

Data: 3 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 3 hits for monomerid = 50009676   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50009676 (4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...) Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.				J Med Chem 34: 2816-21 (1991) BindingDB Entry DOI: 10.7270/Q2J965CZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50009676 (4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...) Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description The compound was tested for binding activity towards opioid receptor mu in guinea pig brain membranes.				J Med Chem 34: 2816-21 (1991) BindingDB Entry DOI: 10.7270/Q2J965CZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50009676 (4-Amino-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl...) Show SMILES NCCCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C28H39N7O6/c29-12-4-7-24(37)31-13-14-32-28(41)23(16-19-5-2-1-3-6-19)35-26(39)18-33-25(38)17-34-27(40)22(30)15-20-8-10-21(36)11-9-20/h1-3,5-6,8-11,22-23,36H,4,7,12-18,29-30H2,(H,31,37)(H,32,41)(H,33,38)(H,34,40)(H,35,39)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description The compound was tested for binding activity towards opioid receptor kappa in guinea pig brain membranes.				J Med Chem 34: 2816-21 (1991) BindingDB Entry DOI: 10.7270/Q2J965CZ
					More data for this Ligand-Target Pair