BDBM50087839 CHEMBL3426801

SMILES: CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3CO)cc2)C(=O)CC(C)(C)C1

InChI Key: InChIKey=REDIQMXVXNAKLK-UHFFFAOYSA-N

Data: 2 EC50

PDB links: 3 PDB IDs match this monomer.

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 = 50087839   

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 (Homo sapiens (Human))	BDBM50087839 (CHEMBL3426801) Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3CO)cc2)C(=O)CC(C)(C)C1 |c:6,11| Show InChI InChI=1S/C31H34O5/c1-30(2)13-23(33)28-25(15-30)36-26-16-31(3,4)14-24(34)29(26)27(28)19-9-11-22(12-10-19)35-18-21-8-6-5-7-20(21)17-32/h5-12,27,32H,13-18H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50087839 (CHEMBL3426801) Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(OCc3ccccc3CO)cc2)C(=O)CC(C)(C)C1 |c:6,11| Show InChI InChI=1S/C31H34O5/c1-30(2)13-23(33)28-25(15-30)36-26-16-31(3,4)14-24(34)29(26)27(28)19-9-11-22(12-10-19)35-18-21-8-6-5-7-20(21)17-32/h5-12,27,32H,13-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents 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