BDBM50055965 CHEMBL3325716

SMILES: Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br

InChI Key: InChIKey=NQJOKWLIXAPJRW-UHFFFAOYSA-N

Data: 1 KI  3 IC50  2 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 6 hits for monomerid = 50055965   

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 (Rattus norvegicus (rat))	BDBM50055965 (CHEMBL3325716) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br Show InChI InChI=1S/C17H19BrN2O/c1-10-5-6-13(12(18)7-10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]-naloxone from rat mu opioid receptor expressed in HEK cells after 60 mins				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50055965 (CHEMBL3325716) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br Show InChI InChI=1S/C17H19BrN2O/c1-10-5-6-13(12(18)7-10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins b...				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50055965 (CHEMBL3325716) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br Show InChI InChI=1S/C17H19BrN2O/c1-10-5-6-13(12(18)7-10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3	PDB NCI pathway 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	41	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing Galpha15 assessed as induction of intracellular calcium release by F...				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50055965 (CHEMBL3325716) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br Show InChI InChI=1S/C17H19BrN2O/c1-10-5-6-13(12(18)7-10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3	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	370	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins b...				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50055965 (CHEMBL3325716) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br Show InChI InChI=1S/C17H19BrN2O/c1-10-5-6-13(12(18)7-10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP production after 30 mins by H...				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50055965 (CHEMBL3325716) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(C)cc1Br Show InChI InChI=1S/C17H19BrN2O/c1-10-5-6-13(12(18)7-10)20-14-8-17(3,4)9-15(21)16(14)11(2)19-20/h5-7H,8-9H2,1-4H3	PDB NCI pathway 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	200	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Agonist activity at myc-tagged mu opioid receptor (unknown origin) expressed in AtT-20 cells assessed as induction of membrane potential hyperpolariz...				Bioorg Med Chem 22: 4694-703 (2014) Article DOI: 10.1016/j.bmc.2014.07.012 BindingDB Entry DOI: 10.7270/Q2H133NH
					More data for this Ligand-Target Pair