BDBM50105779 17-hydroxy-10-methoxy-4-(2-methylallyl)-15-[1-phenyl-(E)-methylidene]-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::CHEMBL319589

SMILES: COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1

InChI Key: InChIKey=AGJZWNFWABFJAS-AMLGIXIYSA-N

Data: 4 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 4 hits for monomerid = 50105779   

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 (Rattus norvegicus (rat))	BDBM50105779 (17-hydroxy-10-methoxy-4-(2-methylallyl)-15-[1-phen...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:26.31,TLB:25:24:19.5.6:8.14.13,THB:18:19:24:8.14.13,9:8:24:19.5.6| Show InChI InChI=1S/C28H29NO4/c1-17(2)16-29-12-11-27-23-19-9-10-21(32-3)25(23)33-26(27)24(30)20(13-18-7-5-4-6-8-18)15-28(27,31)22(29)14-19/h4-10,13,22,26,31H,1,11-12,14-16H2,2-3H3/t22?,26-,27?,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50105779 (17-hydroxy-10-methoxy-4-(2-methylallyl)-15-[1-phen...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:26.31,TLB:25:24:19.5.6:8.14.13,THB:18:19:24:8.14.13,9:8:24:19.5.6| Show InChI InChI=1S/C28H29NO4/c1-17(2)16-29-12-11-27-23-19-9-10-21(32-3)25(23)33-26(27)24(30)20(13-18-7-5-4-6-8-18)15-28(27,31)22(29)14-19/h4-10,13,22,26,31H,1,11-12,14-16H2,2-3H3/t22?,26-,27?,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+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]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))	BDBM50105779 (17-hydroxy-10-methoxy-4-(2-methylallyl)-15-[1-phen...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:26.31,TLB:25:24:19.5.6:8.14.13,THB:18:19:24:8.14.13,9:8:24:19.5.6| Show InChI InChI=1S/C28H29NO4/c1-17(2)16-29-12-11-27-23-19-9-10-21(32-3)25(23)33-26(27)24(30)20(13-18-7-5-4-6-8-18)15-28(27,31)22(29)14-19/h4-10,13,22,26,31H,1,11-12,14-16H2,2-3H3/t22?,26-,27?,28+/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))	BDBM50105779 (17-hydroxy-10-methoxy-4-(2-methylallyl)-15-[1-phen...) Show SMILES COc1ccc2CC3N(CC(C)=C)CCC45[C@@H](Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:26.31,TLB:25:24:19.5.6:8.14.13,THB:18:19:24:8.14.13,9:8:24:19.5.6| Show InChI InChI=1S/C28H29NO4/c1-17(2)16-29-12-11-27-23-19-9-10-21(32-3)25(23)33-26(27)24(30)20(13-18-7-5-4-6-8-18)15-28(27,31)22(29)14-19/h4-10,13,22,26,31H,1,11-12,14-16H2,2-3H3/t22?,26-,27?,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.00E+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]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