BDBM50055061 CHEMBL3323508

SMILES: OC1CCN(C1)C1CCCC2C1N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=UDULYXFKIFOLFG-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50055061   

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 (Cavia porcellus (domestic guinea pig))	BDBM50055061 (CHEMBL3323508) Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H33Cl2N3O2/c28-22-10-9-20(15-23(22)29)16-26(34)32-14-13-31(17-19-5-2-1-3-6-19)25-8-4-7-24(27(25)32)30-12-11-21(33)18-30/h1-3,5-6,9-10,15,21,24-25,27,33H,4,7-8,11-14,16-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50055061 (CHEMBL3323508) Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H33Cl2N3O2/c28-22-10-9-20(15-23(22)29)16-26(34)32-14-13-31(17-19-5-2-1-3-6-19)25-8-4-7-24(27(25)32)30-12-11-21(33)18-30/h1-3,5-6,9-10,15,21,24-25,27,33H,4,7-8,11-14,16-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50055061 (CHEMBL3323508) Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H33Cl2N3O2/c28-22-10-9-20(15-23(22)29)16-26(34)32-14-13-31(17-19-5-2-1-3-6-19)25-8-4-7-24(27(25)32)30-12-11-21(33)18-30/h1-3,5-6,9-10,15,21,24-25,27,33H,4,7-8,11-14,16-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	765	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50055061 (CHEMBL3323508) Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H33Cl2N3O2/c28-22-10-9-20(15-23(22)29)16-26(34)32-14-13-31(17-19-5-2-1-3-6-19)25-8-4-7-24(27(25)32)30-12-11-21(33)18-30/h1-3,5-6,9-10,15,21,24-25,27,33H,4,7-8,11-14,16-18H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO-K1 cells by scintillation counting analysis				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50055061 (CHEMBL3323508) Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C27H33Cl2N3O2/c28-22-10-9-20(15-23(22)29)16-26(34)32-14-13-31(17-19-5-2-1-3-6-19)25-8-4-7-24(27(25)32)30-12-11-21(33)18-30/h1-3,5-6,9-10,15,21,24-25,27,33H,4,7-8,11-14,16-18H2	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	64	n/a	n/a	n/a	n/a
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in HEK-293 cells assessed as stimulation of [35S]-GTPgammaS binding after 30 mins by liquid...				J Med Chem 57: 6845-60 (2014) Article DOI: 10.1021/jm500940q BindingDB Entry DOI: 10.7270/Q2G73GDP
					More data for this Ligand-Target Pair