BDBM50242689 CHEMBL4069933

SMILES: [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(O)Cc1ccccc1

InChI Key: InChIKey=OEPRBIZQOXUSFS-JAZPPYFYSA-N

Data: 6 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 6 hits for monomerid = 50242689   

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))	BDBM50242689 (CHEMBL4069933) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(O)Cc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/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	0.251	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))	BDBM50242689 (CHEMBL4069933) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(O)Cc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	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))	BDBM50242689 (CHEMBL4069933) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(O)Cc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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))	BDBM50242689 (CHEMBL4069933) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(O)Cc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50242689 (CHEMBL4069933) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(O)Cc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	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))	BDBM50242689 (CHEMBL4069933) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(c1)C(N)=O)N2CC(O)Cc1ccccc1 |r,@:7,TLB:9:7:3.2:18| Show InChI InChI=1S/C23H28N2O2/c24-23(27)18-8-4-7-17(12-18)19-13-20-9-10-21(14-19)25(20)15-22(26)11-16-5-2-1-3-6-16/h1-8,12,19-22,26H,9-11,13-15H2,(H2,24,27)/t20-,21-,22?/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