BDBM50001677 22-phenethyl-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@]45CCN3CCc1ccccc1

InChI Key: InChIKey=ZEFONCRJOSMQGI-ADSSBNEFSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50001677   

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))	BDBM50001677 (22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24| Show InChI InChI=1S/C30H28N2O2/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,22,24,29,31,33H,12-17H2/t22-,24?,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	22	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50001677 (22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24| Show InChI InChI=1S/C30H28N2O2/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,22,24,29,31,33H,12-17H2/t22-,24?,29-,30-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	173	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001677 (22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24| Show InChI InChI=1S/C30H28N2O2/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,22,24,29,31,33H,12-17H2/t22-,24?,29-,30-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.62E+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
Opioid receptor (Mus musculus (Mouse)-MOUSE)	BDBM50001677 (22-phenethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.0...) Show SMILES Oc1ccc2CC3[C@@H]4Cc5c([nH]c6ccccc56)[C@@H]5Oc1c2[C@]45CCN3CCc1ccccc1 |THB:3:4:7:25.23.24,20:21:7:25.23.24| Show InChI InChI=1S/C30H28N2O2/c33-25-11-10-19-16-24-22-17-21-20-8-4-5-9-23(20)31-27(21)29-30(22,26(19)28(25)34-29)13-15-32(24)14-12-18-6-2-1-3-7-18/h1-11,22,24,29,31,33H,12-17H2/t22-,24?,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Compound was tested for agonistic activity against the opioid receptor in electrically stimulated mouse vas deference				J Med Chem 35: 4325-9 (1992) BindingDB Entry DOI: 10.7270/Q2DF6RTZ
					More data for this Ligand-Target Pair