BDBM50061381 CHEMBL3394007

SMILES: Clc1ccc(cc1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1

InChI Key: InChIKey=COPRXHFVKPODSK-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 = 50061381   

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 (Homo sapiens (Human))	BDBM50061381 (CHEMBL3394007) Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1 Show InChI InChI=1S/C19H20ClN5O/c20-15-7-5-14(6-8-15)18(26)23-19-22-16-4-3-9-21-17(16)25(19)13-12-24-10-1-2-11-24/h3-9H,1-2,10-13H2,(H,22,23,26)	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	37	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50061381 (CHEMBL3394007) Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1 Show InChI InChI=1S/C19H20ClN5O/c20-15-7-5-14(6-8-15)18(26)23-19-22-16-4-3-9-21-17(16)25(19)13-12-24-10-1-2-11-24/h3-9H,1-2,10-13H2,(H,22,23,26)	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	3.70E+4	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))	BDBM50061381 (CHEMBL3394007) Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2cccnc2n1CCN1CCCC1 Show InChI InChI=1S/C19H20ClN5O/c20-15-7-5-14(6-8-15)18(26)23-19-22-16-4-3-9-21-17(16)25(19)13-12-24-10-1-2-11-24/h3-9H,1-2,10-13H2,(H,22,23,26)	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	5.25E+4	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