BDBM50001678 22-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15(25),16,18-heptaen-16-ol

SMILES: Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1

InChI Key: InChIKey=IDQUAQRNJGIRIN-WUQCVZIASA-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 = 50001678   

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))	BDBM50001678 (22-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazahep...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24| Show InChI InChI=1S/C31H28N2O2/c34-26-13-12-20-17-25-23-18-22-21-10-4-5-11-24(21)32-28(22)30-31(23,27(20)29(26)35-30)14-16-33(25)15-6-9-19-7-2-1-3-8-19/h1-13,23,25,30,32,34H,14-18H2/b9-6+/t23-,25?,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against Opioid receptor delta 1 in guinea pig brain membrane using [3H]- DPDPE as ligand				J Med Chem 35: 4325-9 (1992) BindingDB Entry DOI: 10.7270/Q2DF6RTZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001678 (22-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazahep...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24| Show InChI InChI=1S/C31H28N2O2/c34-26-13-12-20-17-25-23-18-22-21-10-4-5-11-24(21)32-28(22)30-31(23,27(20)29(26)35-30)14-16-33(25)15-6-9-19-7-2-1-3-8-19/h1-13,23,25,30,32,34H,14-18H2/b9-6+/t23-,25?,30-,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against the opioid receptor kappa in guinea pig brain membranes using [3H]- U-69,593				J Med Chem 35: 4325-9 (1992) BindingDB Entry DOI: 10.7270/Q2DF6RTZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50001678 (22-[3-phenyl-(E)-2-propenyl]-14-oxa-11,22-diazahep...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3C\C=C\c1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24| Show InChI InChI=1S/C31H28N2O2/c34-26-13-12-20-17-25-23-18-22-21-10-4-5-11-24(21)32-28(22)30-31(23,27(20)29(26)35-30)14-16-33(25)15-6-9-19-7-2-1-3-8-19/h1-13,23,25,30,32,34H,14-18H2/b9-6+/t23-,25?,30-,31-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound was evaluated for binding affinity against opioid receptor mu in guinea pig brain membranes using [3H]- DAMGO as ligand				J Med Chem 35: 4325-9 (1992) BindingDB Entry DOI: 10.7270/Q2DF6RTZ
					More data for this Ligand-Target Pair