BDBM50087816 CHEMBL3426793

SMILES: CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3cccc(F)c3)cc2)C(=O)CC(C)(C)C1

InChI Key: InChIKey=MGTIRLUSORKENF-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50087816   

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))	BDBM50087816 (CHEMBL3426793) Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3cccc(F)c3)cc2)C(=O)CC(C)(C)C1 |c:6,11| Show InChI InChI=1S/C30H31FO4/c1-29(2)13-22(32)27-24(15-29)35-25-16-30(3,4)14-23(33)28(25)26(27)19-8-10-21(11-9-19)34-17-18-6-5-7-20(31)12-18/h5-12,26H,13-17H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Positive allosteric modulation of human delta opioid receptor-1 expressed in CHO cells assessed as potentiation of leu-enkephalin-induced response af...				J Med Chem 58: 4220-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00007 BindingDB Entry DOI: 10.7270/Q27P9149
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50087816 (CHEMBL3426793) Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3cccc(F)c3)cc2)C(=O)CC(C)(C)C1 |c:6,11| Show InChI InChI=1S/C30H31FO4/c1-29(2)13-22(32)27-24(15-29)35-25-16-30(3,4)14-23(33)28(25)26(27)19-8-10-21(11-9-19)34-17-18-6-5-7-20(31)12-18/h5-12,26H,13-17H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Positive allosteric modulation of human mu opioid receptor-1 expressed in CHO cells assessed as potentiation of endomorphin 1-induced response after ...				J Med Chem 58: 4220-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00007 BindingDB Entry DOI: 10.7270/Q27P9149
					More data for this Ligand-Target Pair