BDBM50377012 CHEMBL403273

SMILES: CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2OCOc2c1

InChI Key: InChIKey=WZXRZUIDXQFXGL-LJQANCHMSA-N

Data: 3 KI  1 EC50

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 4 hits for monomerid = 50377012   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377012 (CHEMBL403273) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(25)14-17-9-10-20-21(13-17)27-16-26-20)19(15-24-11-5-6-12-24)18-7-3-2-4-8-18/h2-4,7-10,13,19H,5-6,11-12,14-16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50377012 (CHEMBL403273) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(25)14-17-9-10-20-21(13-17)27-16-26-20)19(15-24-11-5-6-12-24)18-7-3-2-4-8-18/h2-4,7-10,13,19H,5-6,11-12,14-16H2,1H3/t19-/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	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50377012 (CHEMBL403273) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(25)14-17-9-10-20-21(13-17)27-16-26-20)19(15-24-11-5-6-12-24)18-7-3-2-4-8-18/h2-4,7-10,13,19H,5-6,11-12,14-16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377012 (CHEMBL403273) Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2OCOc2c1 Show InChI InChI=1S/C22H26N2O3/c1-23(22(25)14-17-9-10-20-21(13-17)27-16-26-20)19(15-24-11-5-6-12-24)18-7-3-2-4-8-18/h2-4,7-10,13,19H,5-6,11-12,14-16H2,1H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay				Bioorg Med Chem Lett 18: 3667-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.116 BindingDB Entry DOI: 10.7270/Q2TX3G7F
					More data for this Ligand-Target Pair