BDBM50242690 CHEMBL4071120

SMILES: [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1

InChI Key: InChIKey=WOWHHQWBSOFGPY-WOJBJXKFSA-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 = 50242690   

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))	BDBM50242690 (CHEMBL4071120) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3| Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/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	0.100	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))	BDBM50242690 (CHEMBL4071120) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3| Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/t19-,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD 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 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))	BDBM50242690 (CHEMBL4071120) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3| Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/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	1.60	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))	BDBM50242690 (CHEMBL4071120) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3| Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/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	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 Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain 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))	BDBM50242690 (CHEMBL4071120) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3| Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/t19-,20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 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))	BDBM50242690 (CHEMBL4071120) Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)c1cccc(O)c1)N2CCCOc1ccccc1 |r,@@:7,TLB:9:7:16:2.3| Show InChI InChI=1S/C22H27NO2/c24-21-7-4-6-17(16-21)18-14-19-10-11-20(15-18)23(19)12-5-13-25-22-8-2-1-3-9-22/h1-4,6-9,16,18-20,24H,5,10-15H2/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	63	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