BDBM50016455 1N-[10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-ylcarbamoylmethyl]-2-methylcarboxamidoacetamide

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(=O)CNC(=O)CNC(C)=O)ccc5O

InChI Key: InChIKey=PEAVNOCQOMOSQW-WNFHRKOJSA-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 = 50016455   

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 (GUINEA PIG)	BDBM50016455 (1N-[10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-az...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(=O)CNC(=O)CNC(C)=O)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2| Show InChI InChI=1S/C23H30N4O6/c1-12(28)24-10-17(30)25-11-18(31)26-14-5-6-23(32)16-9-13-3-4-15(29)20-19(13)22(23,21(14)33-20)7-8-27(16)2/h3-4,14,16,21,29,32H,5-11H2,1-2H3,(H,24,28)(H,25,30)(H,26,31)/t14-,16?,21-,22-,23+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity of Opioid receptor mu 1 by the displacement of mu-selective [3H]DAGO from brain membrane preparations.				J Med Chem 30: 1991-4 (1987) BindingDB Entry DOI: 10.7270/Q24T6JZK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50016455 (1N-[10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-az...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC[C@@H]4NC(=O)CNC(=O)CNC(C)=O)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2| Show InChI InChI=1S/C23H30N4O6/c1-12(28)24-10-17(30)25-11-18(31)26-14-5-6-23(32)16-9-13-3-4-15(29)20-19(13)22(23,21(14)33-20)7-8-27(16)2/h3-4,14,16,21,29,32H,5-11H2,1-2H3,(H,24,28)(H,25,30)(H,26,31)/t14-,16?,21-,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity of Opioid receptor delta 1 by the displacement of delta-selective [3H]DSLET from brain membrane preparations.				J Med Chem 30: 1991-4 (1987) BindingDB Entry DOI: 10.7270/Q24T6JZK
					More data for this Ligand-Target Pair