BDBM50061377 CHEMBL3393885

SMILES: O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N

InChI Key: InChIKey=UJROZOSIFQXQMZ-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 = 50061377   

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))	BDBM50061377 (CHEMBL3393885) Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N Show InChI InChI=1S/C21H21N5O/c22-15-16-6-5-7-17(14-16)20(27)24-21-23-18-8-1-2-9-19(18)26(21)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13H2,(H,23,24,27)	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	5.50E+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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50061377 (CHEMBL3393885) Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N Show InChI InChI=1S/C21H21N5O/c22-15-16-6-5-7-17(14-16)20(27)24-21-23-18-8-1-2-9-19(18)26(21)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13H2,(H,23,24,27)	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	72	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50061377 (CHEMBL3393885) Show SMILES O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1cccc(c1)C#N Show InChI InChI=1S/C21H21N5O/c22-15-16-6-5-7-17(14-16)20(27)24-21-23-18-8-1-2-9-19(18)26(21)13-12-25-10-3-4-11-25/h1-2,5-9,14H,3-4,10-13H2,(H,23,24,27)	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	7.80E+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