null

SMILES: [H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(c1)C(N)=O)N2CCCCCCC

InChI Key: InChIKey=WFRDJXWKISASKT-WOJBJXKFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50242680   

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))	BDBM50242680 (CHEMBL4060795) Show SMILES [H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(c1)C(N)=O)N2CCCCCCC |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242680 (CHEMBL4060795) Show SMILES [H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(c1)C(N)=O)N2CCCCCCC |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50242680 (CHEMBL4060795) Show SMILES [H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(c1)C(N)=O)N2CCCCCCC |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50242680 (CHEMBL4060795) Show SMILES [H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(c1)C(N)=O)N2CCCCCCC |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human mu opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50242680 (CHEMBL4060795) Show SMILES [H][C@@]12CC[C@]([H])(C[C@H](C1)c1cccc(c1)C(N)=O)N2CCCCCCC |r,TLB:9:7:18:3.2| Show InChI InChI=1S/C21H32N2O/c1-2-3-4-5-6-12-23-19-10-11-20(23)15-18(14-19)16-8-7-9-17(13-16)21(22)24/h7-9,13,18-20H,2-6,10-12,14-15H2,1H3,(H2,22,24)/t19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US, Inc Curated by ChEMBL					Assay Description Displacement of [3H]DPN from recombinant human delta opioid receptor expressed in CHOK1 cell membranes				Bioorg Med Chem Lett 27: 2926-2930 (2017) Article DOI: 10.1016/j.bmcl.2017.04.092 BindingDB Entry DOI: 10.7270/Q2WD430K
					More data for this Ligand-Target Pair