BDBM50101159 4,10N,10N-trimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraene-10-carboxamide::CHEMBL50386

SMILES: CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C

InChI Key: InChIKey=TXXJZUWLHUOEHJ-XCFVLRLUSA-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 = 50101159   

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 (GUINEA PIG)	BDBM50101159 (4,10N,10N-trimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-...) Show SMILES CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:12| Show InChI InChI=1S/C20H24N2O3/c1-21(2)19(24)12-5-4-11-10-14-13-6-7-15(23)18-20(13,8-9-22(14)3)16(11)17(12)25-18/h4-7,13-15,18,23H,8-10H2,1-3H3/t13-,14+,15?,18?,20-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO				Bioorg Med Chem Lett 11: 1717-21 (2001) BindingDB Entry DOI: 10.7270/Q2TM7BNK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50101159 (4,10N,10N-trimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-...) Show SMILES CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:12| Show InChI InChI=1S/C20H24N2O3/c1-21(2)19(24)12-5-4-11-10-14-13-6-7-15(23)18-20(13,8-9-22(14)3)16(11)17(12)25-18/h4-7,13-15,18,23H,8-10H2,1-3H3/t13-,14+,15?,18?,20-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593				Bioorg Med Chem Lett 11: 1717-21 (2001) BindingDB Entry DOI: 10.7270/Q2TM7BNK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50101159 (4,10N,10N-trimethyl-14-hydroxy-(1S,5R,17R)-12-oxa-...) Show SMILES CN(C)C(=O)c1ccc2C[C@@H]3[C@@H]4C=CC(O)C5Oc1c2[C@]45CCN3C |c:12| Show InChI InChI=1S/C20H24N2O3/c1-21(2)19(24)12-5-4-11-10-14-13-6-7-15(23)18-20(13,8-9-22(14)3)16(11)17(12)25-18/h4-7,13-15,18,23H,8-10H2,1-3H3/t13-,14+,15?,18?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 of guinea pig brain membranes using radioligand 0.2 nM [3H]Naltrindole				Bioorg Med Chem Lett 11: 1717-21 (2001) BindingDB Entry DOI: 10.7270/Q2TM7BNK
					More data for this Ligand-Target Pair