BDBM50221779 CHEMBL3215974

SMILES: Cl.Cl.Cc1nc(CCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCNC(=O)C(N)Cc1ccc(O)cc1

InChI Key: InChIKey=XZCKKRNUBGJNIE-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 = 50221779   

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))	BDBM50221779 (CHEMBL3215974) Show SMILES Cl.Cl.Cc1nc(CCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C29H38N6O5.2ClH/c1-18-25(4-2-14-32-27(38)23(30)16-19-6-10-21(36)11-7-19)35-29(40)26(34-18)5-3-15-33-28(39)24(31)17-20-8-12-22(37)13-9-20;;/h6-13,23-24,36-37H,2-5,14-17,30-31H2,1H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	26	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))	BDBM50221779 (CHEMBL3215974) Show SMILES Cl.Cl.Cc1nc(CCCNC(=O)C(N)Cc2ccc(O)cc2)c(O)nc1CCCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C29H38N6O5.2ClH/c1-18-25(4-2-14-32-27(38)23(30)16-19-6-10-21(36)11-7-19)35-29(40)26(34-18)5-3-15-33-28(39)24(31)17-20-8-12-22(37)13-9-20;;/h6-13,23-24,36-37H,2-5,14-17,30-31H2,1H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	435	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