BDBM50105775 16-methoxy-22-(2-methylallyl)-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-2-ol::CHEMBL441270

SMILES: COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O

InChI Key: InChIKey=ILJDFKSSKHJSNQ-NNMXSAHVSA-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 = 50105775   

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))	BDBM50105775 (16-methoxy-22-(2-methylallyl)-(2S,13R)-14-oxa-11,2...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:31:30:19.5.6:8.14.13,THB:9:8:30:19.5.6,18:19:30:8.14.13| Show InChI InChI=1S/C27H28N2O3/c1-15(2)14-29-11-10-26-22-16-8-9-20(31-3)24(22)32-25(26)23-18(13-27(26,30)21(29)12-16)17-6-4-5-7-19(17)28-23/h4-9,21,25,28,30H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from Opioid receptor delta 1				Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50105775 (16-methoxy-22-(2-methylallyl)-(2S,13R)-14-oxa-11,2...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:31:30:19.5.6:8.14.13,THB:9:8:30:19.5.6,18:19:30:8.14.13| Show InChI InChI=1S/C27H28N2O3/c1-15(2)14-29-11-10-26-22-16-8-9-20(31-3)24(22)32-25(26)23-18(13-27(26,30)21(29)12-16)17-6-4-5-7-19(17)28-23/h4-9,21,25,28,30H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from Opioid receptor mu 1				Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105775 (16-methoxy-22-(2-methylallyl)-(2S,13R)-14-oxa-11,2...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:31:30:19.5.6:8.14.13,THB:9:8:30:19.5.6,18:19:30:8.14.13| Show InChI InChI=1S/C27H28N2O3/c1-15(2)14-29-11-10-26-22-16-8-9-20(31-3)24(22)32-25(26)23-18(13-27(26,30)21(29)12-16)17-6-4-5-7-19(17)28-23/h4-9,21,25,28,30H,1,10-14H2,2-3H3/t21?,25-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from Opioid receptor kappa 1				Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV
					More data for this Ligand-Target Pair