BDBM50221782 CHEMBL3215530

SMILES: Cl.Cl.Cc1nc(CCCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCCNC(=O)C(N)Cc1ccc(O)cc1

InChI Key: InChIKey=WRJOCFXABUPJHJ-UHFFFAOYSA-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 = 50221782   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50221782 (CHEMBL3215530) Show SMILES Cl.Cl.Cc1nc(CCCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C31H42N6O5.2ClH/c1-20-27(6-2-4-16-34-29(40)25(32)18-21-8-12-23(38)13-9-21)37-31(42)28(36-20)7-3-5-17-35-30(41)26(33)19-22-10-14-24(39)15-11-22;;/h8-15,25-26,38-39H,2-7,16-19,32-33H2,1H3,(H,34,40)(H,35,41)(H,37,42);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50221782 (CHEMBL3215530) Show SMILES Cl.Cl.Cc1nc(CCCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C31H42N6O5.2ClH/c1-20-27(6-2-4-16-34-29(40)25(32)18-21-8-12-23(38)13-9-21)37-31(42)28(36-20)7-3-5-17-35-30(41)26(33)19-22-10-14-24(39)15-11-22;;/h8-15,25-26,38-39H,2-7,16-19,32-33H2,1H3,(H,34,40)(H,35,41)(H,37,42);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair