BDBM50346473 CHEMBL1782987::rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-yl)-7,9-diaza-bicyclo[4.2.2]decane::rel-(1RS,2SR,6SR)-7-benzyl-9-[2-(3,4-dichlorophenyl)acetyl]-2-(pyrrolidin-1-yl)-7,9-diazabicyclo[4.2.2]decane

SMILES: Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl

InChI Key: InChIKey=XSQRHBCVIUUUJP-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50346473   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50346473 (CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...) Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11| Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50346473 (CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...) Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11| Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50346473 (CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...) Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11| Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50346473 (CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...) Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11| Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	314	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membranes after 150 mins by scintillation counting				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50346473 (CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...) Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11| Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50346473 (CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...) Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11| Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membranes after 150 mins by scintillation counting				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50346473 (CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...) Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11| Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50346473 (CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...) Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11| Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain membranes				Eur J Med Chem 46: 1972-82 (2011) Article DOI: 10.1016/j.ejmech.2011.01.064 BindingDB Entry DOI: 10.7270/Q2PV6KQ5
					More data for this Ligand-Target Pair