BDBM50061372 CHEMBL3394000

SMILES: O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1

InChI Key: InChIKey=BPAQFXCMGHLBBF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50061372   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50061372 (CHEMBL3394000) Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1 Show InChI InChI=1S/C18H21N5O/c24-17(15-7-5-9-19-15)21-18-20-14-6-1-2-8-16(14)23(18)13-12-22-10-3-4-11-22/h1-2,5-9,19H,3-4,10-13H2,(H,20,21,24)	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	2.80E+3	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in COS7 cells after 60 mins IP1 assay				Bioorg Med Chem Lett 25: 887-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.064 BindingDB Entry DOI: 10.7270/Q2542Q8K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50061372 (CHEMBL3394000) Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1 Show InChI InChI=1S/C18H21N5O/c24-17(15-7-5-9-19-15)21-18-20-14-6-1-2-8-16(14)23(18)13-12-22-10-3-4-11-22/h1-2,5-9,19H,3-4,10-13H2,(H,20,21,24)	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	6.80E+3	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mins IP1 assay				Bioorg Med Chem Lett 25: 887-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.064 BindingDB Entry DOI: 10.7270/Q2542Q8K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50061372 (CHEMBL3394000) Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc[nH]1 Show InChI InChI=1S/C18H21N5O/c24-17(15-7-5-9-19-15)21-18-20-14-6-1-2-8-16(14)23(18)13-12-22-10-3-4-11-22/h1-2,5-9,19H,3-4,10-13H2,(H,20,21,24)	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	8	n/a	n/a	n/a	n/a
Dr. Reddy's Laboratories Ltd Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60 mins IP1 assay				Bioorg Med Chem Lett 25: 887-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.064 BindingDB Entry DOI: 10.7270/Q2542Q8K
					More data for this Ligand-Target Pair