BDBM50009678 4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-{2-[2-(2-{2-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-ethyl}-butyramide::CHEMBL98014

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

InChI Key: InChIKey=URWIFQGNZJDWHF-NSOVKSMOSA-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 = 50009678   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50009678 (4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-{2-[2...) Show SMILES NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN Show InChI InChI=1S/C34H51N9O7/c35-14-4-8-29(45)38-16-18-43(32(48)9-5-15-36)19-17-39-34(50)28(21-24-6-2-1-3-7-24)42-31(47)23-40-30(46)22-41-33(49)27(37)20-25-10-12-26(44)13-11-25/h1-3,6-7,10-13,27-28,44H,4-5,8-9,14-23,35-37H2,(H,38,45)(H,39,50)(H,40,46)(H,41,49)(H,42,47)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.75E+3	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50009678 (4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-{2-[2...) Show SMILES NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN Show InChI InChI=1S/C34H51N9O7/c35-14-4-8-29(45)38-16-18-43(32(48)9-5-15-36)19-17-39-34(50)28(21-24-6-2-1-3-7-24)42-31(47)23-40-30(46)22-41-33(49)27(37)20-25-10-12-26(44)13-11-25/h1-3,6-7,10-13,27-28,44H,4-5,8-9,14-23,35-37H2,(H,38,45)(H,39,50)(H,40,46)(H,41,49)(H,42,47)/t27-,28-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.44E+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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50009678 (4-Amino-N-[2-(4-amino-butyrylamino)-ethyl]-N-{2-[2...) Show SMILES NCCCC(=O)NCCN(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN Show InChI InChI=1S/C34H51N9O7/c35-14-4-8-29(45)38-16-18-43(32(48)9-5-15-36)19-17-39-34(50)28(21-24-6-2-1-3-7-24)42-31(47)23-40-30(46)22-41-33(49)27(37)20-25-10-12-26(44)13-11-25/h1-3,6-7,10-13,27-28,44H,4-5,8-9,14-23,35-37H2,(H,38,45)(H,39,50)(H,40,46)(H,41,49)(H,42,47)/t27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.27E+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