BDBM50358164 CHEMBL1921840

SMILES: NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1

InChI Key: InChIKey=WWTONVSYAJGFBT-UHFFFAOYSA-N

Data: 3 KI

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 = 50358164   

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))	BDBM50358164 (CHEMBL1921840) Show SMILES NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1 Show InChI InChI=1S/C22H22N4O2/c23-22(27)18-7-10-21(25-14-18)28-19-8-5-16(6-9-19)15-26-12-2-4-20(26)17-3-1-11-24-13-17/h1,3,5-11,13-14,20H,2,4,12,15H2,(H2,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in CHO cells after 120 mins by scintillation counting				J Med Chem 54: 8000-12 (2011) Article DOI: 10.1021/jm200789r BindingDB Entry DOI: 10.7270/Q29C6XVV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50358164 (CHEMBL1921840) Show SMILES NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1 Show InChI InChI=1S/C22H22N4O2/c23-22(27)18-7-10-21(25-14-18)28-19-8-5-16(6-9-19)15-26-12-2-4-20(26)17-3-1-11-24-13-17/h1,3,5-11,13-14,20H,2,4,12,15H2,(H2,23,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO cells after 120 mins by scintillation counting				J Med Chem 54: 8000-12 (2011) Article DOI: 10.1021/jm200789r BindingDB Entry DOI: 10.7270/Q29C6XVV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50358164 (CHEMBL1921840) Show SMILES NC(=O)c1ccc(Oc2ccc(CN3CCCC3c3cccnc3)cc2)nc1 Show InChI InChI=1S/C22H22N4O2/c23-22(27)18-7-10-21(25-14-18)28-19-8-5-16(6-9-19)15-26-12-2-4-20(26)17-3-1-11-24-13-17/h1,3,5-11,13-14,20H,2,4,12,15H2,(H2,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human opioid delta receptor expressed in HEK293 cells after 120 mins by scintillation counting				J Med Chem 54: 8000-12 (2011) Article DOI: 10.1021/jm200789r BindingDB Entry DOI: 10.7270/Q29C6XVV
					More data for this Ligand-Target Pair