BDBM50174101 CHEMBL3808589

SMILES: COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1

InChI Key: InChIKey=REJVTFQRRKCLRS-GJZUVCINSA-N

Data: 2 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 2 hits for monomerid = 50174101   

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))	BDBM50174101 (CHEMBL3808589) Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r| Show InChI InChI=1S/C26H29NO3/c1-27(2)17-22-11-7-20-15-19(18-8-12-24(30-3)13-9-18)10-14-25(20)26(22,29)21-5-4-6-23(28)16-21/h4-6,8-10,12-16,22,28-29H,7,11,17H2,1-3H3/t22-,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50174101 (CHEMBL3808589) Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r| Show InChI InChI=1S/C26H29NO3/c1-27(2)17-22-11-7-20-15-19(18-8-12-24(30-3)13-9-18)10-14-25(20)26(22,29)21-5-4-6-23(28)16-21/h4-6,8-10,12-16,22,28-29H,7,11,17H2,1-3H3/t22-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
					More data for this Ligand-Target Pair