BDBM50055067 CHEMBL3323514

SMILES: COc1ccc(CN2CCN(C3C(CCCC23)N2CCCC2)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1

InChI Key: InChIKey=QBCJXEWVKYBDNG-UHFFFAOYSA-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 = 50055067   

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))	BDBM50055067 (CHEMBL3323514) Show SMILES COc1ccc(CN2CCN(C3C(CCCC23)N2CCCC2)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C28H35Cl2N3O2/c1-35-22-10-7-20(8-11-22)19-32-15-16-33(27(34)18-21-9-12-23(29)24(30)17-21)28-25(5-4-6-26(28)32)31-13-2-3-14-31/h7-12,17,25-26,28H,2-6,13-16,18-19H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	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))	BDBM50055067 (CHEMBL3323514) Show SMILES COc1ccc(CN2CCN(C3C(CCCC23)N2CCCC2)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C28H35Cl2N3O2/c1-35-22-10-7-20(8-11-22)19-32-15-16-33(27(34)18-21-9-12-23(29)24(30)17-21)28-25(5-4-6-26(28)32)31-13-2-3-14-31/h7-12,17,25-26,28H,2-6,13-16,18-19H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50055067 (CHEMBL3323514) Show SMILES COc1ccc(CN2CCN(C3C(CCCC23)N2CCCC2)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C28H35Cl2N3O2/c1-35-22-10-7-20(8-11-22)19-32-15-16-33(27(34)18-21-9-12-23(29)24(30)17-21)28-25(5-4-6-26(28)32)31-13-2-3-14-31/h7-12,17,25-26,28H,2-6,13-16,18-19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	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))	BDBM50055067 (CHEMBL3323514) Show SMILES COc1ccc(CN2CCN(C3C(CCCC23)N2CCCC2)C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C28H35Cl2N3O2/c1-35-22-10-7-20(8-11-22)19-32-15-16-33(27(34)18-21-9-12-23(29)24(30)17-21)28-25(5-4-6-26(28)32)31-13-2-3-14-31/h7-12,17,25-26,28H,2-6,13-16,18-19H2,1H3	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	26	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