BDBM50055968 CHEMBL3325713

SMILES: Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=MXIFDEWABPGBOL-UHFFFAOYSA-N

Data: 3 IC50  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 = 50055968   

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 (Homo sapiens (Human))	BDBM50055968 (CHEMBL3325713) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H16Cl2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.89E+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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50055968 (CHEMBL3325713) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H16Cl2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50055968 (CHEMBL3325713) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H16Cl2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+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 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))	BDBM50055968 (CHEMBL3325713) Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H16Cl2N2O/c1-9-15-13(7-16(2,3)8-14(15)21)20(19-9)12-5-4-10(17)6-11(12)18/h4-6H,7-8H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	150	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