BDBM50285003 3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one; with HBr::CHEMBL545208

SMILES: COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12

InChI Key: InChIKey=NWFRYEOZMKEEMS-NYJWAPBASA-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 = 50285003   

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)	BDBM50285003 (3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...) Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18| Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity by its ability to displace [3H]DAMGO from mu receptor in homogenates of guinea pig brain				Bioorg Med Chem Lett 5: 1923-1926 (1995) Article DOI: 10.1016/0960-894X(95)00325-N BindingDB Entry DOI: 10.7270/Q2FX79XF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50285003 (3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...) Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18| Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity by its ability to displace [3H]DPDPE from delta receptor in homogenates of guinea pig brain				Bioorg Med Chem Lett 5: 1923-1926 (1995) Article DOI: 10.1016/0960-894X(95)00325-N BindingDB Entry DOI: 10.7270/Q2FX79XF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50285003 (3,10-dimethoxy-17-phenethyl-17-azatetracyclo[7.5.3...) Show SMILES COc1cccc2CC3N(CCc4ccccc4)CC[C@@]4(CC(=O)CC[C@@]34OC)c12 |r,TLB:5:6:26:9.19.18,2:29:26:9.19.18| Show InChI InChI=1S/C26H31NO3/c1-29-22-10-6-9-20-17-23-26(30-2)13-11-21(28)18-25(26,24(20)22)14-16-27(23)15-12-19-7-4-3-5-8-19/h3-10,23H,11-18H2,1-2H3/t23?,25-,26-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity by its ability to displace [3H]-U-69,593 from kappa receptor in homogenates of guinea pig brain				Bioorg Med Chem Lett 5: 1923-1926 (1995) Article DOI: 10.1016/0960-894X(95)00325-N BindingDB Entry DOI: 10.7270/Q2FX79XF
					More data for this Ligand-Target Pair